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Theoretical Study on the Mechanism of a New Synthesis Reaction of 1,3,5-Substituted-1,2,4-triazoles by Carboxylic Acids,Amidines,and Hydrazines
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作者 王志玲 汪智娜 卢秀慧 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2018年第3期367-374,共8页
The synthesis of 1,3,5-substituted-1,2,4-triazoles from α-imino-3-pyridine formic acid,acetamidine and anisole hydrazine as a model reaction in this paper and the synthesis mechanism of 1,3,5-substituted-1,2,4-triazo... The synthesis of 1,3,5-substituted-1,2,4-triazoles from α-imino-3-pyridine formic acid,acetamidine and anisole hydrazine as a model reaction in this paper and the synthesis mechanism of 1,3,5-substituted-1,2,4-triazole compounds from carboxylic acids,amidines and hydrazines have been first investigated with the B3 LYP/6-311++G** method.According to the potential energy profile,it can be predicted that the course of the reaction consists of five reactions containing six elementary reactions.The α-imino-3-pyridine formic acid and acetamidine form first an intermediate product through a dehydration reaction; the intermediate product further combines with hydrogen ion to form a positive ion; the positive ion reacts with anisole hydrazine by a dehydration reaction to form another positive ion; then,followed by two isomerization reactions,the final reaction with the acetate ion(Ac-) produces the final product.The research results reveal the laws of synthesis reaction of 1,3,5-substituted-1,2,4-triazoles by the carboxylic acids,amidines,hydrazines and their derivatives on theoretical level.It provides the systemic theoretical basis for the synthesis,development and application of 1,3,5-substituted-1,2,4-triazole compounds. 展开更多
关键词 1 3 5-substituted-1 2 4-triazole synthetic reaction potential energy profile molar gibbs free energy of reaction(△rGm)-
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Synthesis,Crystal Structure,DFT Studies and Antifungal Activity of 5-(4-Cyclopropyl-5-((3-fluorobenzyl)sulfonyl)-4H-1,2,4-triazol-3-yl)-4-methyl-1,2,3-thiadiazole 被引量:3
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作者 翟志文 石延霞 +6 位作者 杨明艳 孙召慧 翁建全 谭成侠 刘幸海 李宝聚 张永刚 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第1期25-33,共9页
5-(4-Cyclopropyl-5-((3-fluorobenzyl)sulfonyl)-4H-1,2,4-triazol-3-yl)-4-methyl-1,2,3-thiadiazole was synthesized and recrystallized from Et OH. The compound was characterized by ^1H NMR,MS,elemental analysis and ... 5-(4-Cyclopropyl-5-((3-fluorobenzyl)sulfonyl)-4H-1,2,4-triazol-3-yl)-4-methyl-1,2,3-thiadiazole was synthesized and recrystallized from Et OH. The compound was characterized by ^1H NMR,MS,elemental analysis and X-ray diffraction. The structure-active relationship and the antifungal activity based on density functional theory calculation(DFT) and antifungal activities were investigated. The compound crystallizes in the monoclinic space group P121/n1 with a = 8.929(3),b=12.715(4),c=15.161(5) A°,β = 106.142(3)o,V = 1653.3(9) A°3,Z = 4 and R = 0.0393 for 3930 observed reflections with I 〉 2σ(I). Theoretical calculation of the title compound was carried out with B3LYP/6-31G(d,p). The full geometry optimization was carried out using the 6-31G(d,p) basis set.The frontier orbital energy and atomic net charges were discussed. The observed results of the compound have been compared with theoretical results and the experimental data show good agreement with the calculated values. The compound exhibits good antifungal activity. 展开更多
关键词 1 2 3-thiadiazole 1 2 4-triazole synthesis crystal structure theoretical calculation antifungal activity
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Catalytic Kinetic on the Thermal Decomposition of Ammonium Perchlorate with a New Energetic Complex Based on 3,5-Bis(3-pyridyl)-1H-1,2,4-triazole 被引量:2
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作者 高慧 李冰 +3 位作者 靳晓东 毕淑娴 田晓燕 刘万毅 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第12期1902-1911,共10页
A new energetic complex,[Co(3,3?-Hbpt)(Htm)]·H_2O(1,3,3?-Hbpt = 3,5-bis(3-pyridyl)-1H-1,2,4-triazole and H_3tm = trimesic acid),has been synthesized by hydrothermal reactions and characterized by single... A new energetic complex,[Co(3,3?-Hbpt)(Htm)]·H_2O(1,3,3?-Hbpt = 3,5-bis(3-pyridyl)-1H-1,2,4-triazole and H_3tm = trimesic acid),has been synthesized by hydrothermal reactions and characterized by single-crystal X-ray diffraction,elementary analysis,IR spectroscopy,thermogravimetric analysis and X-ray powder diffraction. Single-crystal X-ray diffraction indicates that the complex belongs to triclinic system,space group P 1 with a = 10.0911(1),b = 10.2573(1),c = 10.6393(1) ?,α = 103.793(2),β = 101.041(2),γ = 107.918(3)o,V = 974.9(2) ?~3,Z = 2,D_c = 1.732 g·cm-3,μ = 0.941 mm^(-1),M_r = 508.31,F(000) = 518,the final R = 0.0523 and wR = 0.0935 with I 〉 2σ(I). In the title complex,Co(Ⅱ) ions are connected by Htm2-anions generating 1D ladder-like chains which are linked by 3,3?-Hbpt to form 1D cages. In addition,the thermal decomposition of ammonium perchlorate(AP) with complex 1 was explored by differential scanning calorimetry(DSC). AP is completely decomposed in a shorter time in the presence of complex 1,and the decomposition heat of the mixture is 2.531 kJ·g^(-1),significantly higher than that of pure AP. By Kissinger's method,the ratio of Ea/ln(A) is 11.05 for the mixture,which indicates that complex 1 shows good catalytic activity toward the AP decomposition. 展开更多
关键词 3 5-bis(3-pyridyl)-1H-1 2 4-triazole ammonium perchlorate catalytic thermal decomposition
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Synthesis, Crystal Structure, Fluorescent Property and DFT Calculations of a New Zn(Ⅱ) Complex Based on 3-(2-Pyridyl)-5-(4-pyridyl)-1H-1,2,4-triazole 被引量:7
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作者 靳晓东 李冰 +2 位作者 高慧 张霞 刘万毅 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第7期1129-1136,共8页
A new coordination compound Zn(2,4'-bpt)2(H2O)(1) based on the versatile ligand 2,4'-Hbpt(2,4?-Hbpt = 3-(2-pyridyl)-5-(4-pyridyl)-1H-1,2,4-triazole) was prepared by hydrothermal reactions. The structure... A new coordination compound Zn(2,4'-bpt)2(H2O)(1) based on the versatile ligand 2,4'-Hbpt(2,4?-Hbpt = 3-(2-pyridyl)-5-(4-pyridyl)-1H-1,2,4-triazole) was prepared by hydrothermal reactions. The structure of complex 1 has been characterized by X-ray single-crystal diffraction, elemental analysis, X-ray powder diffraction, IR spectrum analysis and thermogravimetric analysis. Single-crystal X-ray diffraction analysis indicates that the complex belongs to monoclinic system, space group C2/c with a = 23.877(3), b = 0.7483(9), c = 1.2492(2) A, b = 92.681(2)°, V = 2230.6(4) A^3, Z = 4, Dc = 1.572 g/cm^3, m = 1.143 mm^-1, Mr = 527.85 and F(000) = 1080. The final R = 0.0581 and wR = 0.0898 with I 〉 2s(I). 1 is a 0D motif which is connected by hydrogen bonds to form a corrugated 1D pattern. In addition, 1 shows strong photoluminescent emissions in the solid state at room temperature which can be used as potential optical materials. Theoretical calculations based on density functional theory(DFT) were employed in order to explicate the stability and chemical reactivity of 2,4'-Hbpt with different conformations. The results indicated that conformation I is more stable and prior to coordination in the reactions. 展开更多
关键词 3-(2-pyridyl)-5-(4-pyridyl)-1H-1 2 4-triazole conformation crystal structure fluorescence theoretical analysis
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Synthesis, Crystal Structure and Biological Evaluation of Acridine-1,2,3-triazole Derivatives 被引量:1
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作者 霍丽妮 陈睿 +4 位作者 廖艳芳 刘华钢 李培源 卢汝梅 钟振国 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第5期698-704,共7页
A series of acridine-1,2,3-triazole derivatives were designed, synthesized and characterized by NMR. 1-(2-methylacridinyl)-4-(4-methyl phenyl)-1,2,3-triazole(4f), C_(23)H_(18)N_4, was structurally determined... A series of acridine-1,2,3-triazole derivatives were designed, synthesized and characterized by NMR. 1-(2-methylacridinyl)-4-(4-methyl phenyl)-1,2,3-triazole(4f), C_(23)H_(18)N_4, was structurally determined by single-crystal X-ray diffraction. It crystallizes in the triclinic system, space group P1 with a = 9.585(4), b = 9.684(4), c = 11.339(5) A, β = 88.250(7)o, V = 925.3(6), Z = 2, D_c = 1.258 g/cm^3, F(000) = 368, μ = 0.077 mm^(-1), the final R = 0.0808 and wR = 0.2218 for 3386 observed reflections(I 〉 2σ(I)). X-ray analysis indicates that the acridine ring is almost vertical to triazole ring with the dihedral angle nearly to be 75°. The crystal packing of the compound is stabilized mainly by π-π interaction. The preliminary biological tests display that some of the title compounds possess a good anti-tumour activity against MGC-803 and T24. 展开更多
关键词 acridine-1 2 3-triazole crystal structure antitumor activities
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Synthesis and Crystal Structure of Picrates of 3,5-Diamino-1,2,4-triazole 被引量:1
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作者 赵鹏 任莹辉 +4 位作者 李丹 赵风起 仪建华 宋纪蓉 马海霞 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2010年第6期957-961,共5页
The title compound C2N5H6+C6N3O7H2-was synthesized by the reaction of 3,5-diamino-1,2,4-triazole and picric acid in the mixture of ethanol and water solution.Single crystals suitable for X-ray measurement were obtain... The title compound C2N5H6+C6N3O7H2-was synthesized by the reaction of 3,5-diamino-1,2,4-triazole and picric acid in the mixture of ethanol and water solution.Single crystals suitable for X-ray measurement were obtained at room temperature.The structure was characterized by elemental analysis and IR and determined by X-ray diffraction analysis.Crystallographic data:C8N8H8O7,Mr = 328.22,monoclinic,space group C2/c with a = 22.815(2),b = 4.8086(5),c = 22.564(2),β = 93.976(2)°,V = 2469.6(4)3,Dc = 1.766 g/cm3,Z = 8,μ = 0.156 mm-1,F(000) = 1344,the final R= 0.0309,wR= 0.0864. 展开更多
关键词 picric acid(PA) 3 5-diamino-1 2 4-triazole(DAT) synthesis X-ray diffraction
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One Novel 2D Co(Ⅱ) Polymer with 1,2,3-Triazole Derivative: Crystal Structure, Fluorescence and Hirshfeld Surface Analysis 被引量:1
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作者 冯超 黄欢欢 +1 位作者 张舵 赵红 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第9期1376-1382,共7页
One new polymer [Co(L)(H2O)2]n(1) was synthesized by 4-(ethoxycarbonyl)-5-methyl-1H-1,2,3-triazole-1-carboxylic acid(Emtc) under the in situ solvent thermal reaction(H2L = 1-(carboxymethyl)-5-methyl-1H-1,... One new polymer [Co(L)(H2O)2]n(1) was synthesized by 4-(ethoxycarbonyl)-5-methyl-1H-1,2,3-triazole-1-carboxylic acid(Emtc) under the in situ solvent thermal reaction(H2L = 1-(carboxymethyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid). The title complex performs a wave-like 2D framework and the ligand H2L demonstrates the coordination mode as μ4-η-2:η-1η-1:η-1. The crystal structure has been established by single-crystal X-ray diffraction, and characterized by FT-IR. Fluorescent property was investigated in this work. Hirshfeld surface analysis has also been carried out on 1, and obvious main intermolecular interactions are observed. 展开更多
关键词 1H-1 2 3-triazole acid derivative crystal structure fluorescence Hirshfeld surface analysis
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Synthesis and Crystal Structure of Ag_2(admtrz)_2(CF_3CO_2)_2(admtrz=4-amino-3,5-dimethyl-1,2,4-triazole)
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作者 刘家成 郭国聪 +6 位作者 马宏伟 杨春 周国伟 郑发鲲 林善伙 王明盛 黄锦顺 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2002年第4期371-373,共3页
The title compound (Ag2F6O4N8C12H16, Mr = 666.07) was synthesized and its crystal structure was determined by single-crystal X-ray diffraction method. It crystallizes in orthorhombic, space group Fddd with cell parame... The title compound (Ag2F6O4N8C12H16, Mr = 666.07) was synthesized and its crystal structure was determined by single-crystal X-ray diffraction method. It crystallizes in orthorhombic, space group Fddd with cell parameters: a = 12.2718(1), b = 23.3229(1), c = 29.1918(1) ? V = 8355.10(8) 3, Z = 16, Dc = 2.118 g/cm3, F(000) = 5184 and m = 1.966 mm-1. The structure was solved by direct methods and refined by full-matrix least-squares methods. The final R = 0.0624 and Rw = 0.1699 for 1584 observed reflections with I ≥ 2.0s(I). The molecular structure consists of two trigonal silver atoms bridged by double triazole ligands. The distance between the two silver atoms Ag(1)…Ag(1A) is 3.475(2) ? 展开更多
关键词 synthesis silver 4-amino-3 5-dimethyl-1 2 4-triazole crystal structure
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Synthesis and Bioactivity of Novel Aminomethyl-2-(1,2,4-triazol)-4,4-dimethyl-3-pentanone(ol)
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作者 ShuoWenWANG BoJieSHI YuChangLI QingMinWANG RunQiuHUANG 《Chinese Chemical Letters》 SCIE CAS CSCD 2004年第3期261-264,共4页
Dimethyl-1-(1, 2, 4-triazol) -2- butanone was treated with aqueous formaldehyde to give an additional product, and subsequent elimination by acetic anhydride yielded 4, 4-dimethyl-2-(1, 2, 4-triazol)-1-penten-3-one. ... Dimethyl-1-(1, 2, 4-triazol) -2- butanone was treated with aqueous formaldehyde to give an additional product, and subsequent elimination by acetic anhydride yielded 4, 4-dimethyl-2-(1, 2, 4-triazol)-1-penten-3-one. Further addition with substituted amines provided a series of (1, 2, 4-triazol)-4, 4-dimethyl-3-pentanone, which were then reduced by KBH4 to obtain a series of (1, 2, 4-triazol)-4, 4-dimethyl-3-pentanol. Their structures were confirmed by 1HNMR and elemental analysis. The results of bioassay showed that the title products possess good fungicidal activities. 展开更多
关键词 Triazol)-4 4-dimethyl-3-pentanone (1 2 4-triazol)-4 4-dimethyl-3-pentanol SYNTHESIS fungicidal activities.
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Synthesis and Biological Activity Study of New Schiff and Mannich Base Ligands Derived from Isatin and 3-Amino-1,2,4-triazole and Their Metal Complexes
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作者 Ahlam J. Abdulghani Nada. M. Alabidy 《Journal of Chemistry and Chemical Engineering》 2011年第1期61-72,共12页
Two new Mannich and Schiff base ligands namely: (1-(3'-amino-methyl-1'(H)-1',2',4'-triazole)-3-(1'(H)-l',2',4'- triazole-3'-yl) iminoisatin (Lt) and l-morpholinomethyl-3-(1'(H)-1',2',4'-tr... Two new Mannich and Schiff base ligands namely: (1-(3'-amino-methyl-1'(H)-1',2',4'-triazole)-3-(1'(H)-l',2',4'- triazole-3'-yl) iminoisatin (Lt) and l-morpholinomethyl-3-(1'(H)-1',2',4'-triazolyl)iminoisatin (LII) were prepared from condensation reaction of the new Schiff base 3-(l'(H)-l',2',4'-triazole-3'-yl)iminoisatin (SBH) (0.01 mol) with formaldehyde and 3-amino-l,2,4-triazole (3-At) or with formaldehyde and morpholine (0.01 mole each) respectively. Structures were characterized by tH NMR, CHN analyses, mass spectra and IR spectra. Metal complexes were synthesized by heating each ligand (0.02 mo with metal salts (0.01 moo in ethanol or ethanol: acetone mixture respectively. The formula of metal complexes were suggested depending on CHN and thermal analyses, metal and chloride contents, IR and UV-visible spectra, magnetic moments (laefr) and conductivity measurements. All complexes were of octahedral geometry except palladium (II) complexes which were square planar. The two ligands and some selected metal complexes showed various antibacterial and cytotoxic effects. 展开更多
关键词 Mannich Schiff base ISATIN 3-amino-1 2 4 -triazole.
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Aromatic Multicarboxylate Ligands Tuned One-and Three-dimensional Zn(Ⅱ) Coordination Polymers Based on 3-(1H-pyrazol-4-yl)-5-(pyridin-3-yl)-1,2,4-triazole
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作者 WANG Yu-Fang WANG Li-Ya 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2019年第8期1329-1336,共8页
Two aromatic multicarboxylate ligands tuned Zn(Ⅱ) coordination polymers, namely, {[Zn0.5(H2L)(tp)0.5(H2O)]H2O}n(1) and {[Zn2(HL)(btc)(H2O)]H2O}n(2)(H2L = 3-(1 Hpyrazol-4-yl)-5-(pyridin-3-yl)-1,2,4-triazole, H2tp = te... Two aromatic multicarboxylate ligands tuned Zn(Ⅱ) coordination polymers, namely, {[Zn0.5(H2L)(tp)0.5(H2O)]H2O}n(1) and {[Zn2(HL)(btc)(H2O)]H2O}n(2)(H2L = 3-(1 Hpyrazol-4-yl)-5-(pyridin-3-yl)-1,2,4-triazole, H2tp = terephthalic acid;H3 btc = 1,3,5-benzenetricarboxylic) have been synthesized. Their structures were characterized by single-crystal X-ray diffraction analysis, elemental analyses and infrared spectra. Compound 1 possesses a one-dimensional chain structure and is finally extended into a three-dimensional supramolecular architecture though hydrogen bonding interactions. Compound 2 shows a three-dimensional framework. Meanwhile, compounds 1 and 2 exhibit luminescent emission in the solid, and can be investigated as potential luminescent materials. 展开更多
关键词 coordination polymer 3-(1H-pyrazol-4-yl)-5-(pyridin-3-yl)-1 2 4-triazole AROMATIC multicarboxylate luminescence
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Thermodynamic Study and Spectroscopic Analysis of a Charge-Transfer Complex between 3,5-Diamino-1,2,4-Triazole and 6-Methyl-1,3,5-Triazine-2,4-Diamine with Chloranilic Acid
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作者 Khairia M. Al-Ahmary Ashwaq T. Alharbi 《Open Journal of Physical Chemistry》 2020年第1期33-47,共15页
Studying of charge-transfer (CT) and proton transfer interactions is essential due to their important role in many biological field and industrial applications. The current work will add more information’s about the ... Studying of charge-transfer (CT) and proton transfer interactions is essential due to their important role in many biological field and industrial applications. The current work will add more information’s about the nature of interaction between 3,5-diamino-1,2,4-triazole (DAT) and 6-methyl-1,3,5-triazine-2,4-diamine (MTDA) with 3,6-dichloro-2,5-dihydroxy-p-benzoquinone (chloranilic acid CLA) which was studied spectrophotometrically in Ethanol (EtOH) and Methanol (MeOH) solvents at different temperatures. The molecular composition of the formed complexes was studied by applying continuous variation and spectrophotometric titration methods and found to be 1:1 charge transfer complex for both Complex (DAT:CLA) and (MTDA:CLA) which are produced. Minimum-Maximum absorbance’s method has been applied to calculate the formation constant KCT and molecular extinction coefficient (ε);they recorded high values confirming high stability of the produced complexes. Oscillator strength (f), transition dipole moment (μ), ionization potential (IP) and dissociation energy (W) of the formed CT-complexes were also determined and evaluated;they showed solvent dependency. It is concluded that the formation constant (KCT) of the complexes is found to depend on the nature of both electron acceptor and donors and on the polarity of solvents. 展开更多
关键词 3 5-Diamino-1 2 4-triazole 6-Methyl-1 5-Triazine-2 4-Diamine Charge Transfer Hydrogen Bond Spectroscopy
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La_2(BPMPPD)_3(TPPO)_2·8H_2O的合成与鉴定
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作者 李小静 闫兰 +2 位作者 完颜辉 苏航 杨汝栋 《兰州大学学报(自然科学版)》 CAS CSCD 北大核心 1993年第3期166-169,共4页
本文在乙醇介质中合成了La^(3+)与1,5-双(1′苯基-3′-甲基-5′-氧代吡唑-4′-基)戊二酮-[1,5](BPMPPD)和三苯基氧化膦(TPPO)的三元配合物。通过元素分析、化学分析及电导分析确定了配合物的组成为La_2(BPMPPD)_3(TPPO)_2·8H_2O。... 本文在乙醇介质中合成了La^(3+)与1,5-双(1′苯基-3′-甲基-5′-氧代吡唑-4′-基)戊二酮-[1,5](BPMPPD)和三苯基氧化膦(TPPO)的三元配合物。通过元素分析、化学分析及电导分析确定了配合物的组成为La_2(BPMPPD)_3(TPPO)_2·8H_2O。研究了配合物的紫外、红外、核磁共振光谱及热稳定性。证明配合物为双核结构,BPMPPD为四齿配体。 展开更多
关键词 络合物 BPMPPD 三苯基膦
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1,13,-三溴-2-苯基丙烯的合成研究
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作者 赵宙兴 叶大钧 《青海大学学报(自然科学版)》 2011年第6期64-67,共4页
以苯乙酮为原料,经溴化反应得到ω-溴代苯乙酮,随后与三苯基膦、四溴化碳三组分一锅法合成1,13,-三溴-2-苯基丙烯。重点考察了三组分一锅法反应中反应溶剂、反应温度和反应时间等对产物收率的影响。获得较佳合成条件:n(ω-溴代苯乙酮):n... 以苯乙酮为原料,经溴化反应得到ω-溴代苯乙酮,随后与三苯基膦、四溴化碳三组分一锅法合成1,13,-三溴-2-苯基丙烯。重点考察了三组分一锅法反应中反应溶剂、反应温度和反应时间等对产物收率的影响。获得较佳合成条件:n(ω-溴代苯乙酮):n(三苯基膦):n(四溴化碳)=1︰2.2︰1,反应介质为二氯甲烷,反应温度0℃,反应时间30 min,产物收率达82.7%。并通过红外光谱(FT-IR)和核磁共振波谱(1 H NMR1,3 C NMR)对产物结构进行了表征。 展开更多
关键词 ω-溴代苯乙酮 三苯基膦 四溴化碳 1 13 -三溴-2-苯基丙烯 合成
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基于3-羟基黄酮的pH荧光探针合成及线粒体靶向荧光成像
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作者 王超 杨方舟 +2 位作者 吉鹏博 王婷婷 马养民 《陕西科技大学学报》 CAS 2020年第1期88-92,共5页
线粒体是真核细胞能量代谢的重要场所,对于细胞生理功能具有重要意义.将荧光分子定位于线粒体可以实现可视化的荧光成像,为线粒体形态及功能研究提供了有力工具.设计以3-羟基黄酮为荧光母核,以三苯基膦为靶向基团,合成一例用于活细胞线... 线粒体是真核细胞能量代谢的重要场所,对于细胞生理功能具有重要意义.将荧光分子定位于线粒体可以实现可视化的荧光成像,为线粒体形态及功能研究提供了有力工具.设计以3-羟基黄酮为荧光母核,以三苯基膦为靶向基团,合成一例用于活细胞线粒体特异性成像的荧光探针HF-Mito.3-羟基黄酮部分的激发态分子内质子转移(ESIPT)机理赋予了它优异的荧光性能,同时由于质子性溶剂对其ESIPT过程和荧光性能的影响,该探针可以用于pH的检测.而三苯基膦部分具有亲脂性且带正电荷,可以特异性的嵌入线粒体内膜并与膜电位差形成的负电荷稳定结合.荧光光谱测试与细胞荧光成像实验均表明该探针适用于细胞内线粒体的靶向标记与荧光成像. 展开更多
关键词 线粒体 荧光探针 三苯基膦 3-羟基黄酮 ESIPT效应
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Synthesis and Crystal Structure of 2-(4’-Methylphenoxy)-5,8,9-trimethyl-3-phenyl Thieno[3′,2′:5,6]pyrido[4,3-d]pyrimidin-4-(3H)-one Hydrochloride 被引量:1
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作者 LIU Jian-Chao HE Hong-Wu DING Ming-Wu 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2006年第5期577-581,共5页
The title compound 2-(4'-methylphenoxy)-5,8,9-trimethyl-3-phenyl thieno[3',2':5,6] pyrido[4,3-d]pyrimidin-4(3H)-one hydrochloride (C26H23Cl4N3O2S, Mr = 583.33) has been determined by single-crystal X-ray dif... The title compound 2-(4'-methylphenoxy)-5,8,9-trimethyl-3-phenyl thieno[3',2':5,6] pyrido[4,3-d]pyrimidin-4(3H)-one hydrochloride (C26H23Cl4N3O2S, Mr = 583.33) has been determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/c with a = 14.8442( 11 ), b = 11.5131 (8), c = 17.2010(13) A, β = 113.7250(10)°, V = 2691.3(3) ,A^3, Z = 4, Dc = 1.440 g/cm^3, S = 1.094,μ = 0.547 mm^-1, F(000) = 1200, the final R = 0.0571 and wR = 0.1458. X-ray analysis reveals that the title compound combines with a molecule of dichloromethane by an intramolecular hydrogen bond. The thienopyridine ring is almost coplanar, and the dihedral angle between the thiophene plane and the pyridine plane is 0.6°. 展开更多
关键词 thieno[3 2':5 6]pyrido[4 3-d]pyrimidin-4(3H)-one triphenylphosphine IMINOPHOSPHORANE crystal structure
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A New Nickel(Ⅱ) Coordination Compound Constructed by Pyridyl-triazole and Oxybis(Benzoic Acid): Synthesis,Crystal Structure and the Effect on the Thermal Decomposition of Ammonium Perchlorate 被引量:5
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作者 韩晶 李婷 李冰 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2015年第2期253-259,共7页
A new energetic complex, Ni(3,4'-Hbpt)2(Hoba)2(H20)2 (3,4'-Hbpt = 3-(3-pyridyl)- 5-(4'-pyridyl)-l-H-l,2,4-triazole and H2oba = 4,4'-oxybis(benzoic acid)), has been synthesized by hydrothermal reactio... A new energetic complex, Ni(3,4'-Hbpt)2(Hoba)2(H20)2 (3,4'-Hbpt = 3-(3-pyridyl)- 5-(4'-pyridyl)-l-H-l,2,4-triazole and H2oba = 4,4'-oxybis(benzoic acid)), has been synthesized by hydrothermal reaction and characterized by elemental analysis, IR spectroscopy, single-crystal X-ray diffraction, thermogravimetric analyses and X-ray powder diffraction. Single-crystal X-ray diffraction analysis indicates that the complex belongs to the monoclinic system, space group P2j/c with a = 10.2357(9), b = 24.594(2), c = 10.4225(9)/k, β = 114.0110(10)°, V = 2396.7(4) A3, Dc = 1.460 g/cm3,μ = 0.482 mm-1, Mr = 1053.63, F(000) = 1088, Z = 2, the final R = 0.0358 and wR = 0.0973 with I 〉 2σ(I). Both 3,4'-Hbpt and H2oba ligands adopt monodentate modes linking one Ni(II) ion to form a 0D motif. Furthermore, the 0D motifs are linked into a 3D supramolecular architecture with hydrogen bonds. In addition, the catalytic performance for thermal decomposition of the efficacy of ammonium perchlorate (AP) is explored by differential scanning calorimetry (DSC), which indicates that the complex is a good candidate for a promoter of the thermal decomposition of ammonium perchlorate. 展开更多
关键词 3-(3-pyridyl)-5-(4'-pyridyl)-l-H-l 2 4-triazole 4 4'-oxybis(benzoic acid) crystal structure thermal decomposition ammonium perchlorate
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Auxiliary Ligands Mediated One- and Two-dimensional Cd(Ⅱ) Coordination Polymers Incorporating Methyl-3- hydroxy-5-carboxy-2-Thiophenecarboxylate Ligand 被引量:1
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作者 李召好 李振元 +2 位作者 陈云 路远远 赵邦屯 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2018年第4期617-623,共7页
Two N-donor ligands mediated Cd(Ⅱ) coordination polymers, namely,[Cd(L)(dmpz)2]n (1) and {[Cd(L)(atr)05(H20)](H2O)}n (2) (H2L = methyl-3-hydroxy-5-carboxy-2-thiophenecarboxylate, dmpz = 3,5-dimethy... Two N-donor ligands mediated Cd(Ⅱ) coordination polymers, namely,[Cd(L)(dmpz)2]n (1) and {[Cd(L)(atr)05(H20)](H2O)}n (2) (H2L = methyl-3-hydroxy-5-carboxy-2-thiophenecarboxylate, dmpz = 3,5-dimethylpyrazole, and atr= 4-amino-l,2,4-triazole), havebeen produced. Their structures were characterized by single-crystal X-ray diffraction analysis,elemental analyses and infrared spectra. Compound 1 possesses a one-dimensional (1D) chainstructure and is finally extended into a three-dimensional (3D) supramolecular architecturethough hydrogen bonding interactions. Compound 2 features a two-dimensional (2D) networkwith 4-connected sql topology based on dinuclear Cd(Ⅱ) clusters as nodes, which is alsoassembled into a 3D supramolecular architecture through hydrogen bonding interactions.Furthermore, compounds 1 and 2 exhibit high thermal stabilities and intense fluorescent emissionin the solid, and can be explored as potential luminescent materials. 展开更多
关键词 coordination polymer methyl-3-hydroxy-5-carboxy-2-thiophenecarboxylate 3 5-dimethylpyrazole 4-amino-1 2 4-triazole photolumineseent properties
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Synthesis and Structural Characterization of Organophosphorus Ylide-1-(3-nitrophenyl)-2-(triphenyl phosphoranylidene)ethanone 被引量:1
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作者 ALIREZA Dadrass ALI Ramazani +6 位作者 AHMAD Poursattar Marjani HOJJATOLLAH Rahchamani HASSAN Nasri Koureh ALI Souldozi SEPIDEH Samiee KATARZYNA lepokura TADEUSZ Lis 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2015年第3期373-378,共6页
The title compound Ph3P=C(H)C(O)PhNO2 (L) has been prepared by the addition of triphenylphosphine in acetone as solvent to 2-bromo-1-(3,nitrophenyl)ethanone followed by the addition of alkaline solution of sod... The title compound Ph3P=C(H)C(O)PhNO2 (L) has been prepared by the addition of triphenylphosphine in acetone as solvent to 2-bromo-1-(3,nitrophenyl)ethanone followed by the addition of alkaline solution of sodium hydroxide. The yellow crystals of the title ylide were grown in methanol/chloroform solution by drop method without stirring at room temperature. The solid state structure of ylide has been established by X-ray crystallography analysis. In the molecule of the title compound, the geometry around the P atom is nearly tetrahedral and the O atom is in synperiplanar orientation to the P atom. The nitrophenyl ring is twisted with respect to the plane of the carbonyl group through an angle of 36.6(1)°. The crystal (C26H20NO3P, Mr = 425.40) belongs to the monoclinic system, space group P21/n with a = 10.889(3), b = 14.467(3), e = 13.872(4)A, β = 103.08(3)°, V = 2128.6(10) A3, Z= 4, T= 100(2) K, R = 0.059 and wR = 0.163 for 3984 observed reflections with I〉 2σ(I). 展开更多
关键词 crystal structure phosphorus yUde 2-bromo-1-(3-nitrophenyl)ethanone triphenylphosphine
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[4+1]Annulation of in situ generated azoalkenes with amines:A powerful approach to access 1-substituted 1,2,3-triazoles 被引量:1
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作者 Hongwei Wang Yongquan Ning +2 位作者 Paramasivam Sivaguru Giuseppe Zanoni Xihe Bi 《Chinese Chemical Letters》 SCIE CAS CSCD 2022年第3期1550-1554,共5页
1-Substituted 1,2,3-triazoles represents‘privileged’structural scaffolds of many clinical pharmaceuticals.However,the traditional methods for their preparation mainly rely on thermal[3+2]cycloaddition of potentially... 1-Substituted 1,2,3-triazoles represents‘privileged’structural scaffolds of many clinical pharmaceuticals.However,the traditional methods for their preparation mainly rely on thermal[3+2]cycloaddition of potentially dangerous acetylene and azides.Here we report a base-mediated[4+1]annulation of azoalkenes generated in situ from readily available difluoroacetaldehyde N-tosylhydrazones(DFHZ-Ts)with amines under relatively mild conditions.This azide-and acetylene-free strategy provides facile access to diverse 1-substituted 1,2,3-triazole derivatives in high yield in a regiospecific manner.This transformation has great functional group tolerance and can suit a broad substrate scope.Furthermore,the application of this novel methodology in the gram-scale synthesis of an antibiotic drug PH-027 and in the late-stage derivatization of several bioactive small molecules and clinical drugs demonstrated its generality,practicability and applicability. 展开更多
关键词 [4+1]Annulation Azoalkene Late-stage functionalization 1-Substituted 1 2 3-triazoles
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