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4-Amino-1,2,4-triazole Resin-supported Palladium Complex as Phosphine-free Catalyst for Suzuki Reaction in Aqueous Phase
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作者 WU Xiang-mei WANG Yan GUO Sheng-rong 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 2010年第2期331-334,共4页
1 Introduction The Suzuki cross-coupling reaction is a powerful and versatile method for the generation of unsymmetrical biaryls from arylboronic acids and aryl halides in a single step. However, the reaction is usua... 1 Introduction The Suzuki cross-coupling reaction is a powerful and versatile method for the generation of unsymmetrical biaryls from arylboronic acids and aryl halides in a single step. However, the reaction is usually performed in the presence of Pd catalyst along with phosphine ligand, which sometimes creates practical problems because organophosphines tend to be expensive, poisonous, and air sensitive. Recently, phos-phine-free ligands, 展开更多
关键词 Suzuki reaction Phosphine-free ligand PALLADIUM 4-amino-1 2 4-triazole resin
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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 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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A novel N-N bond cleavage reaction of 4-amino-1,2,4-triazole derivatives 被引量:2
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作者 杨光富 杨华铮 《Chinese Journal of Chemistry》 SCIE CAS CSCD 2000年第3期425-427,共3页
5-Substituted-4-animo-3-thiol-l,2,4-triazoles (1a—b) react with ortho nitrochloro-benzene or para-nitrochlorobenzene to give N—N bond cleavage products 2a—d, one structure of which (2b) has been unambiguously confi... 5-Substituted-4-animo-3-thiol-l,2,4-triazoles (1a—b) react with ortho nitrochloro-benzene or para-nitrochlorobenzene to give N—N bond cleavage products 2a—d, one structure of which (2b) has been unambiguously confirmed by an X-ray structural analysis. 展开更多
关键词 N—N Bond cleavage reaction 4-amino-3-thiol-1 2 4-triazole X-ray diffraction
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Theoretical Studies on Intermolecular Interactions of 4-Amino-5-nitro-1,2,3-triazole Dimers 被引量:1
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作者 LU Ya-Lin GONG Xue-Dong JU Xue-Hai MA Xiu-Fang XIAO He-Ming 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2006年第8期1004-1010,共7页
Seven optimized configurations and their electronic structures of 4-amino-5-nitro- 1,2,3-triazole dimers on their potential energy surface have been obtained by using density functional theory (DPT) method at the B3... Seven optimized configurations and their electronic structures of 4-amino-5-nitro- 1,2,3-triazole dimers on their potential energy surface have been obtained by using density functional theory (DPT) method at the B3LYP/6-311++G** level. The maximum intermolecular interaction energy is -35.42 kJ/mol via the basis set superposition error-correction (BSSE) and zero point energy-correction (ZPE). Charge transfers between the two subsystems are small. The vibration analysis of optimized configurations was performed, and the thermodynamic property changes from monomer to dimer have been obtained with the temperature ranging from 200 to 800 K on the basis of statistical thermodynamics. It is found that the hydrogen bonds contribute to the dimers dominantly, and the extent of intermolecular interaction is mainly determined by the hydrogen bonds' strength rather than their number. The dimerization processes of Ⅳ, Ⅴand Ⅵ can occur spontaneously at 200 K. 展开更多
关键词 4-amino-5-nitro-1 2 3-triazole intermolecular interaction density functional theory thermodynamic properties
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Facile synthesis of[1,2,4]triazino[4,3-b][1,2,4,5]tetrazepin derivatives by a one-pot reactions using 4-amino-3-hydrazinyl-6-methyl-1,2,4-triazin-5(4H)-one
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作者 Hooshang Vahedi Ghadir Rajabzadeh Fahimeh Farvandi 《Chinese Chemical Letters》 SCIE CAS CSCD 2010年第12期1419-1422,共4页
4-Amino-3-mercapto-6-methyl-l,2,4-triazin-5(4H)-one 1 converted to 4-amino-6-methy-3-(methylthio)-1,2,4-triazin-5(4H)-one by methylation with methyl iodide.Controlled hydrazination of the resulting compound affo... 4-Amino-3-mercapto-6-methyl-l,2,4-triazin-5(4H)-one 1 converted to 4-amino-6-methy-3-(methylthio)-1,2,4-triazin-5(4H)-one by methylation with methyl iodide.Controlled hydrazination of the resulting compound afforded 4-amino-3-hydrazinyl-6- methyl-l,2,4-triazin-5(4H)-one 2 as a building block,to the synthesis of some novel derivatives of[1,2,4]triazino- [4,3,b][1,2,4,5]tetrazepine 3-6,by the reaction with 3-chloropentane-2,4-dione,chloro acetonitrile,1,3-dichloroacetone,and methyl bromoacetate.This general synthetic procedure can be extended to the preparation of wide variety of tetrazepines using 1,2- bielectrophiles derivatives. 展开更多
关键词 4-amino-3-hydrazinyl-6-methyl-1 2 4-triazin-5(4H)-one [1 2 4]Triazino[4 3 b][1 2 4 5]tetrazepine 3-Chloropentane-2 4-dione Chloro acetonitrile 1 3-Dichloroacetone Methyl bromoacetate
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Syntheses, Structures and Properties of Four Manganese Coordination Polymers Derived from 4-Amino-3,5- bis(imidazol-1 -ylmethyl)-1,2,4-triazole
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作者 Feng, Yunfei Yuan, Deyun Wang, Ju Li, Baolong Li, Haiyan 《Chinese Journal of Chemistry》 SCIE CAS CSCD 2011年第1期178-184,共7页
The reaction of 4-amino-3,5-bis(imidazol-l-ylmethyl)-1,2,4-triazole (abit) and manganese(Ⅱ) salts yields four coordination polymers {[Mn(abit)3](C104)z}n (1), {[Mn(abit)3](PF6)2},, (2), [Mn(abit)... The reaction of 4-amino-3,5-bis(imidazol-l-ylmethyl)-1,2,4-triazole (abit) and manganese(Ⅱ) salts yields four coordination polymers {[Mn(abit)3](C104)z}n (1), {[Mn(abit)3](PF6)2},, (2), [Mn(abit)(dca)2(H2O)2],, (3a) and [Mn(abit)(dca)2(H2O)2]n (3b). Compounds 1 and 2 are one-dimensional triple-stranded chain. Compounds 3a and 3b are polymorphous and construct one-dimensional single chain. The conformational analysis is performed. The thermal properties have been investigated. 展开更多
关键词 manganese complex polymorphism crystal engineering coordination polymer. 4-amino-3 5-bis(imidazol-l-ylmethyl)- 1 2 4-triazole
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Two New Iron Coordination Polymers Based on Fe-pyta Chains Incorporating Pyridine-2,4,6-tricarboxylate
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作者 CHEN Zi-yun PENG Meng-xia 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 2008年第4期392-395,共4页
Reaction of FeCIz'6H20, pyridine-2,4,6-tricarboxylic acid(H3pyta) and NaOH in the hydrothermal system at 185 ℃ resulted in the formation of 1D coordination polymer[Fe(Hpyta)(H2O)2](1) based on Fe-Hpyta chain... Reaction of FeCIz'6H20, pyridine-2,4,6-tricarboxylic acid(H3pyta) and NaOH in the hydrothermal system at 185 ℃ resulted in the formation of 1D coordination polymer[Fe(Hpyta)(H2O)2](1) based on Fe-Hpyta chains. When the abpt[abpt=-4-amino-3,5-bis(4-pyridyl)-l,2,4-triazole] ligand was employed in the reaction system, a 3D supramolecular porous network (H2bpt)[Fe(pyta)(H2O)2]·4H2O(2) was obtained. The framework was constructed with negative (Fe-pyta) chains and the positive H3bpt^+ in situ, formed from the abpt reagent, to form 1D channels filled with guest water molecules via hydrogen-bonds. X-Ray diffraction crystal structure analysis shows that complex 1 crystallized in the monoclinic system, space group C2/c, a=1.1490(5) nm, b=0.9008(4) nm, c=1.0058(5) nm, B=107.254(9)°, V=0.9942(8) nm3, Z=4; and complex 2 crystallizes in the triclinic system, space group P1 with a=0.90392(11) nm, b=0.96027(11 ) nm, c=1.55540(18) nm, a=73.558(2)°,B= 86.126(2)°,r= 68.745(2)°, V=1.2059(2) nm^3 and Z=2. 展开更多
关键词 Iron(Ⅱ) Coordination polymer Pyridine-2 4 6-tricarboxylate 4-amino-3 5-bis(4-pyridyl)-1 2 4-triazole Hydrothermal
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Theoretical Study on the Nitrogen-rich Derivatives Based on 1,2,4-Triazole and 1,2,3-Triazole Rings:an Extended Family of Power Performance Energetic Materials
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作者 JIA Jing-Xian PANG Yu +5 位作者 YANG Jing LI Min-Xian MENG Xiang-Jun GAO Xiao-Zhen LIU Li-Hua LRJ Meng-Na 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2021年第9期1113-1121,1107,共10页
The geometric and electronic structures of the derivatives of 4-nitro-5-(5-nitroimino-1,2,4-triazol-3-yl)-2H-1,2,3-triazolate(named A~J)are explored employing density functional theory(DFT)calculations at the B3LYP/6-... The geometric and electronic structures of the derivatives of 4-nitro-5-(5-nitroimino-1,2,4-triazol-3-yl)-2H-1,2,3-triazolate(named A~J)are explored employing density functional theory(DFT)calculations at the B3LYP/6-311G^(**)level of theory.Based on the optimized molecular structures,the heats of formation(HOF)are obtained,and the electronic properties,density and molecular sensitivity by characteristic heights(H_(50))are discussed.Besides,the detonation performances(detonation velocity,detonation pressure)are estimated via Kamlet-Jacobs(K-J)formula.Compounds B(H50=29.4 cm,ρ=1.91 g/cm^(3),Q=1563.04 cal/g,P=36.05 GPa,D=8.95 km/s)and H(H_(50)=31.9 cm,ρ=1.80 g/cm^(3),Q=1610.09 cal/g,P=37.31 GPa,D=9.12 km/s)have positive HOFs and remarkable insensitivity and good detonation performance,strongly suggesting them as the acceptable new-type explosive.The initiating power surpasses conventional primary explosives,such as HMX.The outstanding detonation power of compounds B and H contributes to its future prospects as a promising green primary explosive. 展开更多
关键词 4-nitro-5-(5-nitroimino-1 2 4-triazol-3-yl)-2H-1 2 3-triazolate high energy density materials density functional theory explosive
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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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Molecular Design and Property Prediction of High Density 4-Nitro-5-(5-nitro-1,2,4-triazol-3-yl)-2H-1,2,3-triazolate Derivatives as the Potential High Energy Explosives
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作者 YANG Jing PANG Yu +6 位作者 LI Min-Xian YANG Ge-Fei JIA Jing-Xian MENG Xiang-Jun LIU Li-Hua YANG Xiao-Chun GAO Xiao-Zhen 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2022年第2期123-131,I0011,共10页
To search for potential energetic materials with large energy density and acceptable thermodynamics and kinetics stability,twelve derivatives of 4-nitro-5-(5-nitro-1,2,4-triazol-3-yl)-2H-1,2,3-triazolate(named A~L)are... To search for potential energetic materials with large energy density and acceptable thermodynamics and kinetics stability,twelve derivatives of 4-nitro-5-(5-nitro-1,2,4-triazol-3-yl)-2H-1,2,3-triazolate(named A~L)are designed and analyzed by using density functional theory(DFT)calculations at the B3LYP/6-311G**level of theory.The molecular heats of formation(HOF),electronic structures,impact sensitivity(H_(50)),oxygen balance(OB)and density(ρ)are investigated by isodesmic reaction method and physicochemical formulas.Furthermore,the detonation velocity(D)and detonation pressure(P)are calculated to study the detonation performance by Kamlet-Jacobs(K-J)equation.These results show that new molecule J(H_(50)=36.9 cm,ρ=1.90g/cm^(3),Q=1912.46 cal/g,P=37.82 GPa,D=9.22 km/s,OB=0.00),compound A(H_(50)=27.9 cm,ρ=1.93 g/cm^(3),Q=1612.93 cal/g,P=38.90 GPa,D=9.19 km/s)and compound H(H_(50)=37.3 cm,ρ=1.97 g/cm^(3),Q=1505.06cal/g,P=37.20 GPa,D=9.01 km/s)present promising effects that are far better RDX and HMX as the high energy density materials.Our calculations can provide useful information for the molecular synthesis of novel high energy density materials. 展开更多
关键词 4-nitro-5-(5-nitro-1 2 4-triazol-3-yl)-2H-1 2 3-triazolate energetic materials density functional theory explosive
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Design,synthesis and antimicrobial activities of 1,2,3-triazole derivatives 被引量:3
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作者 Xu Zhao Bo Wei Lu +3 位作者 Jun Rui Lu Chun Wei Xin Jian Fa Li Ya Liu 《Chinese Chemical Letters》 SCIE CAS CSCD 2012年第8期933-935,共3页
Fifteen 1-(4-substituted phenyl)-4-(4-bromophenyl)-5-(halo-o-hydroxyphenyl)imino-1,2,3-triazoles were designed and synthe- sized based on rational combination of 1,2,3-triazoles and (halo)o-hydroxyphenyl group... Fifteen 1-(4-substituted phenyl)-4-(4-bromophenyl)-5-(halo-o-hydroxyphenyl)imino-1,2,3-triazoles were designed and synthe- sized based on rational combination of 1,2,3-triazoles and (halo)o-hydroxyphenyl group according to the superposition principle of reinforcement of biological activities. All the compounds were tested to an in vitro antimicrobial screening against M.a. and E.c.. Compounds IIe-IIo exhibited more potent antimicrobial activities against M.a. and E.c. than triclosan and fluconazole, which provided valuable information to further study of novel antimicrobial research. 展开更多
关键词 1-(4-Substituted phenyl)-4-(4-bromophenyl)-5-(halo-o-hydroxyphenyl)imino-1 2 3-triazoles 1-(4-Substituted phenyl)-4-(4-bromophenyl)-5-amino-1 2 3-triazoles SYNTHESIS Antimicrobial activity
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Triheterocyclic Thiadiazepine Derivatives of Pharmacological Interest: Synthesis of 2-Aryl-4-[ρ-(2,3-dihydro-5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]-6-(u n)su bstituent-1 ",2" ,4"- triazolo[3",4"-b]-1 ',3',4'-thiadiazepine
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作者 KAMBLE, Ravindre SUDHA, Belagur 《Chinese Journal of Chemistry》 SCIE CAS CSCD 2006年第1期129-134,共6页
Synthesis of novel thiadiazepine derivatives based on the reactivity of 4-acetylphenylsydnone (1) was reported. The structures of the newly synthesized compounds have been proved by their physical, analytical, IR, 1... Synthesis of novel thiadiazepine derivatives based on the reactivity of 4-acetylphenylsydnone (1) was reported. The structures of the newly synthesized compounds have been proved by their physical, analytical, IR, 1^H NMR, 13^C NMR and mass spectral data. 展开更多
关键词 4-acetylphenylsydnone 1 3-dipolar cycloaddition 1 3 4-thiadiazepine 1 2 4-triazole 1 3 4-oxadiazoline triheterocycle ring closure condensation Michael addition cardiovascular agent
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Improved microwave-assisted catalyst-free synthesis of9-aryl-5,9-dihydropyrimido[4,5-d][1,2,4]triazolo[1,5-a]pyrimidine-6,8(4H,7H)-dione derivatives
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作者 Mahnaz Farahi Bahador Karami Zohreh Banaki 《Chinese Chemical Letters》 SCIE CAS CSCD 2015年第9期1065-1067,共3页
Agreen regioselective synthesis of some new and known 9-aryl-5,9-dihydropyrimido[4,5-d][l,2,4]triazolo[1,5-a]pyrimidine-6,8(4H,7H)-diones has been described via the microwave-assisted one-pot reaction of 3-amino-1H-... Agreen regioselective synthesis of some new and known 9-aryl-5,9-dihydropyrimido[4,5-d][l,2,4]triazolo[1,5-a]pyrimidine-6,8(4H,7H)-diones has been described via the microwave-assisted one-pot reaction of 3-amino-1H-1,2,4-triazoles,aromatic aldehydes and barbituric acids under solvent- and catalyst-free conditions.This operationally simple procedure is less laborious and provides a better scope than previously reported procedures. 展开更多
关键词 9-Aryl-5 9-dihydropyrimido[4 5-d] [ 1 2 4]triazolo[1 5-a]pyrimidine- 6 8(4H 7H)-diones Barbituric acids 3-amino- 1 H- 1 2 4-triazoles Aryl aldehydes Microwave-assisted synthesis
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Synthesis, Crystal Structure and Thermal Behavior of GZTO·H2O 被引量:2
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作者 钟益堂 黄洁 +4 位作者 宋纪蓉 徐抗震 赵丹 王立勤 张新瑜 《Chinese Journal of Chemistry》 SCIE CAS CSCD 2011年第8期1672-1676,共5页
Guanidimium-4,4-azo-l-hydro-1,2,4-triazol-5-one (GZTO·H2O) was synthesized from 4-amino-1,2,4-triazol- 5-one as a starting material by two-step including oxidation coupling using acid KMnO4 and reaction with (... Guanidimium-4,4-azo-l-hydro-1,2,4-triazol-5-one (GZTO·H2O) was synthesized from 4-amino-1,2,4-triazol- 5-one as a starting material by two-step including oxidation coupling using acid KMnO4 and reaction with (NH2)2C=NHoHNO3 (GN) in KOH solution. The single crystal of the title compound was obtained by slow evapo- ration method at room temperature, and its structure was firstly determined with X-ray single-crystal diffractometer. It is a orthorhombic crystal, space group Pbca with cell dimensions of a = 1.0459(2) nm, b =- 1.3584(3) nm, c= 1.6103(3) nm, a= 90.00(10)°, β=90.00(11)°,γ=90.00(11)°, V=2.2878(8) nm3, Z=8, De= 1.587 gocm-3, F(000) = 1136,/l = 0.132 mm- 1, R1 = 0.0455, wR2 = 0. 1397. The thermal behavior of GZTO·H2O was studied under a non-isothermal condition by DSC-TGA method, and its thermal decomposition process can be divided into three stages, and the first stage is an intense exothermic decomposition process. The second stage and the third stage are slow exothermic decomposition processes. The critical temperature of thermal explosion is 237.74℃. 展开更多
关键词 X-ray diffraction high-nitrogen energetic materials 4-amino-1 2 4-triazol-5-one (ATO) crystal struc-ture azo-compound THERMOCHEMISTRY
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Synergistic Modification of PVC with Nitrogen-Containing Heterocycle and Tung-Oil Based Derivative for Enhanced Heat Stabilization and Plasticization Behavior
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作者 Mei Wang Xinzhu Fan +2 位作者 Quan Bu Puyou Jia Shouqi Yuan 《Journal of Renewable Materials》 SCIE EI 2023年第4期2015-2031,共17页
The additives present in polyvinyl chloride(PVC)materials are the major source of organic by-products during PVC degradation.The thermal stabilizer and plasticizer are the main additives that endow PVC with the requir... The additives present in polyvinyl chloride(PVC)materials are the major source of organic by-products during PVC degradation.The thermal stabilizer and plasticizer are the main additives that endow PVC with the required properties during its processing.However,these two additives easily migrate when samples are obtained by physical mixing of the additives with PVC.This causes the reduction of PVC sample efficacy and the increase in the formation of organic by-products in the radiolysis process.In this work,two kinds of grafted PVC samples(tungoil derivative grafted PVC and Atz grafted PVC,abbreviated as P-GT4 and P-AZ3)were synthesized by chemical grafting of 3-amino-1,2,4-triazole(Atz)and tung-oil derivative on PVC,respectively.These two PVC samples were then blended at different mass ratios to obtain hybrid PVC materials with excellent plasticization,thermal stability and migration resistance ability.Differential scanning calorimetry(DSC),discoloration,Congo red test and thermogravimetric analysis(TGA)showed that when the mass ratio of P-GT4 to P-AZ3 in the mixed PVC resin was 1:3,the resulting P1:3-GT4-AZ3(P4)presented the best plasticization and thermal stability.The kinetics of thermal decomposition showed that the activation energy of P4 was much higher than that of the reference material[PVC/DOTP/CaSt2/ZnSt2,PVC/CZ41 for short]at mass lossα=20%and 80%.In addition,the leaching test showed that P4 material possessed excellent migration resistance ability. 展开更多
关键词 Polyvinyl chloride synergistic self-stabilization internal plasticization 3-amino-1 2 4-triazole tung-oil derivative
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Synthesis of novel herbicidal sulfonylureas
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作者 杨光富 杨华铮 《Chinese Journal of Chemistry》 SCIE CAS CSCD 2000年第4期585-589,共5页
Novel sulfonylurea derivatives containing five-membered heterocycle 3a—1 and 4a—d were synthesized in good yields by the regioselective addition of aryl sulfonylisocyanates 1 to 5-amino-3-benzyl(aryl) thio-1,2,4-tri... Novel sulfonylurea derivatives containing five-membered heterocycle 3a—1 and 4a—d were synthesized in good yields by the regioselective addition of aryl sulfonylisocyanates 1 to 5-amino-3-benzyl(aryl) thio-1,2,4-triazoles and its pyrazole analogues 2. The structures of all these compounds were evaluated by elemental analyses and 1H NMR spectroscopy. The preliminary biological tests showed that the products displayed herbicidal activity against rape to some extent. 展开更多
关键词 5-amino-1 2 4-triazoles 5-amino-1H-pyrazoles SULFONYLUREA regioselectivity
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