Using 2'-Hydroxyacetophenone and as the raw material, 1-( 2-Hydroxyphenyl )-3-Phenyl-1, 3- Propanedione (HPPPD) was synthesized by esterification reaction and Fries rearrangement reaction. And the complexes of HP...Using 2'-Hydroxyacetophenone and as the raw material, 1-( 2-Hydroxyphenyl )-3-Phenyl-1, 3- Propanedione (HPPPD) was synthesized by esterification reaction and Fries rearrangement reaction. And the complexes of HPPPD with europium were also synthesized. The compounds were characterized by IR, thermo-gravimetric analysis and ^1H-NMR. The effects of phenolic hydroxyl on the luminescence properties of complexes were studied. The results show that the complexes emit strong red fluorescence and the fluorescence intensity of the ternary complex is better than that of the duality. But the complexes of HPPPD with Sm( Ⅲ ), Tb ( Ⅲ ), Dy ( Ⅲ ) emit weak fluorescence. The phenomenon was interpreted by electron-effect and energy-matching mechanism. Energy transfer mechanism of the luminescence in the complex was discussed.展开更多
The two diarylheptanoids (E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl) hept-4-en-3-one 1 (Gingerenone C) and (±)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(4- hydroxyphenyl)-3-heptanone 2 were synthesized...The two diarylheptanoids (E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl) hept-4-en-3-one 1 (Gingerenone C) and (±)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(4- hydroxyphenyl)-3-heptanone 2 were synthesized from vanillin 3 and 4-hydroxybenzaldehyde 9.展开更多
A new ligand, 2-(2-hydroxyphenyl)-5,6-dichlorobenzimidazole, H2pbmCl2(1), and a novel MnIII complex, [MnIII(HpbmCl2)(pbmCl2)(DMF)2](2),(DMF = N,N-dimethylformamide), have been synthesized and characteriz...A new ligand, 2-(2-hydroxyphenyl)-5,6-dichlorobenzimidazole, H2pbmCl2(1), and a novel MnIII complex, [MnIII(HpbmCl2)(pbmCl2)(DMF)2](2),(DMF = N,N-dimethylformamide), have been synthesized and characterized. The crystal of compound 1(C13H8Cl2N2O, Mr = 279.12) belongs to the monoclinic system, space group P21 with a = 3.770(5), b = 25.20(3), c = 5.865(7) A, = 92.727(17)o, V = 556.6(12) A3, Z = 2, Dc = 1.665 g/cm^3, S = 1.137, μ= 0.568 mm^-1, F(000) = 284, the final R = 0.0876 and wR = 0.2334 for 1848 independent reflections. The molecule is planar due to the presence of a strong intramolecular hydrogen bond between O–H group of phenol and N atom of imidazole. H2pbmCl2(1) molecules are arranged into a one-dimensional linear chain through intermolecular hydrogen bonds(N–H…O and C–H…Cl). The crystal of complex 2(C32H27Cl4MnN6O4, Mr = 756.34) belongs to the monoclinic system, space group P21/c with a = 19.043(10), b = 10.808(5), c = 18.704(11)A, β= 115.540(6)°, V = 3473(3) A3, Z = 4, Dc = 1.446 g/cm^3, S = 1.3, μ = 0.733 mm-1, F(000) = 1544, the final R = 0.1219 and wR = 0.2681 for 7811 independent reflections. The Mn ion adopts a distorted octahedral geometry coordinated by two deprotonated H2pbmCl2 ligands and two DMF molecules. The [MnIII(HpbmCl2)(pbmCl2)(DMF)2] molecules are arranged into a three-dimensional structure through hydrogen bonds(N–H…N, C–H…N and C–H…Cl) and weak π···πinteractions. The activity measurements suggest that complex 2 is able to serve as a catalyst for H2O2 disproportionation reaction to form O2 in neutral water solution.展开更多
The geometrical structures of 2 (2 hydroxyphenyl) pyridine(PP) and its protonation states were optimized by means of the B3LYP/6 31G(d) method. For all the selected systems, the existence of H bond is in favor of ...The geometrical structures of 2 (2 hydroxyphenyl) pyridine(PP) and its protonation states were optimized by means of the B3LYP/6 31G(d) method. For all the selected systems, the existence of H bond is in favor of the stability of the systems. On the basis of the optimized geometrical structures, their electronic spectrum properties were studied by time dependent density functional theory(TD DFT) methosd via a hybrid function of B3LYP and 6 31G(d) basis set. The TD DFT calculation result predicts the absorption spectrum of PP at 324 nm(3.82 eV), which is in very good agreement with the experimental value of 322 nm( 3.85 eV ) determined in solvent chloroform. The absorption spectra of the two protonation states both exert a red shift in various pH media.展开更多
A new procedure has been developed successfully to prepare the maleimide-terminated poly (arylene ether sulphone ) oligomers. It was condueted by the aromatic nucleophilic substitution of the chloro-terminated poly (a...A new procedure has been developed successfully to prepare the maleimide-terminated poly (arylene ether sulphone ) oligomers. It was condueted by the aromatic nucleophilic substitution of the chloro-terminated poly (arylene ether sulphone) oligomer by an endblocking monomer, N-(4-hydroxyphenyl) maleimide. The reaction and structure of the product were confirmed by FT-IR. 1H-NMR and elemental analysis.展开更多
A new series of fully aromatic thermotropic liquid crystalline copolyesters were synthesized by thermal polycondensation of p-hydroxybenzoic acid [PHB], terephthalic acid [TPA], resorcinol [RES] and bis (4-hydroxyphen...A new series of fully aromatic thermotropic liquid crystalline copolyesters were synthesized by thermal polycondensation of p-hydroxybenzoic acid [PHB], terephthalic acid [TPA], resorcinol [RES] and bis (4-hydroxyphenyl) methanone [BHP]. The DSC traces of copolyesters exhibited two or three endotherms, the low temperature endotherm(Tm) of which indicated the transition from solid state to anisotropic phase. Observation under polarizing microscope and WAXD measurements suggested that the LC-phase formed immediately above Tm had a nematic character.展开更多
A convenient method to synthesize substituted 2 (2' hydroxyphenyl) benzimidazoles is reported. Six title compounds have been synthesized by the reaction of salicylic acid and 4 substituted o phenylene...A convenient method to synthesize substituted 2 (2' hydroxyphenyl) benzimidazoles is reported. Six title compounds have been synthesized by the reaction of salicylic acid and 4 substituted o phenylenediamine in the presence pyridine POCl 3 . Three compounds were tested as plant virucide against tobacco mosaic virus and they exhibited some activities.展开更多
The two new diarylheptanoids, 1,7-bis(4-hydroxyphenyl)-1,4,6 (l) and aecrogenin G (2) were Synthesized starting from 4-hydroxybenzaldehyde (3) and acetone
A facile synthesis of the analog of curcumin. 1,7-bis (4-hydroxyphenyl)-3-hydroxy-1.3-heptadien-5-one 1 was achieved. The key step was completed through the regioselective condensation of ketone 5 and acyl chloride 7.
The reaction mechanisms of intermolecular cleavage reaction of N-(2-hydroxyphenyl)-phthalamic acid were studied via the density functional theory(DFT). All geometries of the reactant, transition states, and produc...The reaction mechanisms of intermolecular cleavage reaction of N-(2-hydroxyphenyl)-phthalamic acid were studied via the density functional theory(DFT). All geometries of the reactant, transition states, and products were optimized at the B3LYP/6-31G(d, p) level. Vibration analysis was carried out to confirm its identity as transitions' structure, and the intrinsic reaction coordinate method(IRC) was used to search the minimum energy path. Two possible reaction channels are reported in this article. The calculated results indicate that O-cyclization reaction channel has the lower activation barrier, and therefore, it occurs more easier than the other.展开更多
The reaction of Co(OAc)2·4H2O with the Schiff base H2L in a methanol solution affords the red crystals of { [Co^ⅢL2]·[Co^Ⅱ(H2O)6]0.5·2.25H2O}4 1 (H2L = N-(2-hydroxyphenyl) salicylidenimine). T...The reaction of Co(OAc)2·4H2O with the Schiff base H2L in a methanol solution affords the red crystals of { [Co^ⅢL2]·[Co^Ⅱ(H2O)6]0.5·2.25H2O}4 1 (H2L = N-(2-hydroxyphenyl) salicylidenimine). The molecular and crystal structures were determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group P21/n, C104Hi14Co6NaO37, Mr = 2421.61, a = 10.625(3), b = 16.335(4), c = 15.265(4)A^°, β = 102.990(4)°, V= 2581.6(11)A^°^3, Z = 1, Dc= 1.558 g/cm^3,μ = 1.034 mm^-1, F(000) = 1252, R = 0.0414 and wR = 0.1167 for 5889 reflections. The Co(HI) atom is six-coordinated by two nitrogen atoms and four oxygen atoms of two tridentate L ligands. The abundant hydrogen bonding interactions extend the complex into a one-dimensional supra- molecular framework. The uncoordinated water molecules act as space-fillers and consolidate the whole architecture through the hydrogen bonding interactions.展开更多
A new quinazolinone compound 2,3-dihydro-2-(2-hydroxyphenyl)-3-phenyl- quinazolin-4(1H)-one 3 ([C20H16O2N2]?C2H5OH, Mr = 362.42) and compound 2-(2-hydroxy- benzylidene-amino)-N-phenyl-benzamide 2 (C20H16O2N2, Mr = 316...A new quinazolinone compound 2,3-dihydro-2-(2-hydroxyphenyl)-3-phenyl- quinazolin-4(1H)-one 3 ([C20H16O2N2]?C2H5OH, Mr = 362.42) and compound 2-(2-hydroxy- benzylidene-amino)-N-phenyl-benzamide 2 (C20H16O2N2, Mr = 316.34) were prepared from a precursor of 2-amino-N-phenyl-benzamide 1 (C13H12ON2, Mr = 212.25). Compound 3 was characterized by single-crystal X-ray diffraction analysis. The crystal belongs to orthorhombic, space group Pbca with a = 1.2889(11), b = 1.6170(14), c = 1.7729(15) nm, V = 3.695(6) nm3, Z = 8, F(000) = 1536, Mr = 362.42, Dc = 1.303 g/cm3, μ(MoKα) = 0.087 mm-1, R = 0.0447 and wR = 0.0879. The crystal structure analysis indicates that the title compound has a two-dimensional network structure formed by hydrogen bonds and electrostatic interactions.展开更多
According to the superposition principle of reinforcement of biological activities, 24 novel 1,4- disubstituted phenyl-5-(halo-2-hydroxyphenyl)imino-l,2,3-triazoles was synthesized and characterized by 1H NMR, ^13C ...According to the superposition principle of reinforcement of biological activities, 24 novel 1,4- disubstituted phenyl-5-(halo-2-hydroxyphenyl)imino-l,2,3-triazoles was synthesized and characterized by 1H NMR, ^13C NMR, elemental analysis and IR. All the target compounds were screened for their antibacterial potential in vitro against Monilia albican, Escherichia coli and Staphylococcus aureus. It was shown that all the compounds possessed efficient antibacterial activities at a concentration of 0.1 mg/mL, even at a concentration of 0.01 mg/mL, some of the compounds still exhibited antibacterial activities against Escherichia coli and Monilia albican. At last, the struc- ture-activity relationship was discussed based on the antibacterial results.展开更多
2-(4-Hydroxyphenyl)-3-hydroxymethyl-1,4-benzodioxane-6-aldehyde 8,the key intermediate of sinaiticin 10,was synthesized in 6 step from caffeic acid 4 and 4- hydroxybenzsaldehyde 1.the coupling reaction is the key step.
Results of oxidation 2-(N-acetylamine)-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-propionic acid oxygen depend on temperature. At 55℃?- 60℃, 2,4-di-tert-butylbicyclo(4,3,1)deca-4,6-dien-8-(N-acetylamine)-3,9-dion-1-oxa i...Results of oxidation 2-(N-acetylamine)-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-propionic acid oxygen depend on temperature. At 55℃?- 60℃, 2,4-di-tert-butylbicyclo(4,3,1)deca-4,6-dien-8-(N-acetylamine)-3,9-dion-1-oxa is formed. The constitution is based on dates of spectrums 1Н and 13С NMR. At 95℃?- 97℃, mixtures of 2,4-di-tert-butylbicyclo(4,3,1)deca-4,6-dien-8-(N-acetylamine)-3,9-dion-1-oxa and of 6,8-di-tert-butyl-3-(N-acetylamine)spiro(4,5)deca-1-oxa-5,8-dien-2,7-dione are produced. Structures are calculated by the method of Hartrii-Foka. Values of enthalpies and of entropies allow to assume dynamic isomerism.展开更多
文摘Using 2'-Hydroxyacetophenone and as the raw material, 1-( 2-Hydroxyphenyl )-3-Phenyl-1, 3- Propanedione (HPPPD) was synthesized by esterification reaction and Fries rearrangement reaction. And the complexes of HPPPD with europium were also synthesized. The compounds were characterized by IR, thermo-gravimetric analysis and ^1H-NMR. The effects of phenolic hydroxyl on the luminescence properties of complexes were studied. The results show that the complexes emit strong red fluorescence and the fluorescence intensity of the ternary complex is better than that of the duality. But the complexes of HPPPD with Sm( Ⅲ ), Tb ( Ⅲ ), Dy ( Ⅲ ) emit weak fluorescence. The phenomenon was interpreted by electron-effect and energy-matching mechanism. Energy transfer mechanism of the luminescence in the complex was discussed.
文摘The two diarylheptanoids (E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl) hept-4-en-3-one 1 (Gingerenone C) and (±)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(4- hydroxyphenyl)-3-heptanone 2 were synthesized from vanillin 3 and 4-hydroxybenzaldehyde 9.
基金supported by the National Natural Science Foundation of China(No.20973186 and 31070216)
文摘A new ligand, 2-(2-hydroxyphenyl)-5,6-dichlorobenzimidazole, H2pbmCl2(1), and a novel MnIII complex, [MnIII(HpbmCl2)(pbmCl2)(DMF)2](2),(DMF = N,N-dimethylformamide), have been synthesized and characterized. The crystal of compound 1(C13H8Cl2N2O, Mr = 279.12) belongs to the monoclinic system, space group P21 with a = 3.770(5), b = 25.20(3), c = 5.865(7) A, = 92.727(17)o, V = 556.6(12) A3, Z = 2, Dc = 1.665 g/cm^3, S = 1.137, μ= 0.568 mm^-1, F(000) = 284, the final R = 0.0876 and wR = 0.2334 for 1848 independent reflections. The molecule is planar due to the presence of a strong intramolecular hydrogen bond between O–H group of phenol and N atom of imidazole. H2pbmCl2(1) molecules are arranged into a one-dimensional linear chain through intermolecular hydrogen bonds(N–H…O and C–H…Cl). The crystal of complex 2(C32H27Cl4MnN6O4, Mr = 756.34) belongs to the monoclinic system, space group P21/c with a = 19.043(10), b = 10.808(5), c = 18.704(11)A, β= 115.540(6)°, V = 3473(3) A3, Z = 4, Dc = 1.446 g/cm^3, S = 1.3, μ = 0.733 mm-1, F(000) = 1544, the final R = 0.1219 and wR = 0.2681 for 7811 independent reflections. The Mn ion adopts a distorted octahedral geometry coordinated by two deprotonated H2pbmCl2 ligands and two DMF molecules. The [MnIII(HpbmCl2)(pbmCl2)(DMF)2] molecules are arranged into a three-dimensional structure through hydrogen bonds(N–H…N, C–H…N and C–H…Cl) and weak π···πinteractions. The activity measurements suggest that complex 2 is able to serve as a catalyst for H2O2 disproportionation reaction to form O2 in neutral water solution.
基金Supported by the Excellent Young Teachers Program of MOETrans- century Program me Foundation for the Talentsby the State Education Ministry and Excellent Youth Foundation of Jilin Province
文摘The geometrical structures of 2 (2 hydroxyphenyl) pyridine(PP) and its protonation states were optimized by means of the B3LYP/6 31G(d) method. For all the selected systems, the existence of H bond is in favor of the stability of the systems. On the basis of the optimized geometrical structures, their electronic spectrum properties were studied by time dependent density functional theory(TD DFT) methosd via a hybrid function of B3LYP and 6 31G(d) basis set. The TD DFT calculation result predicts the absorption spectrum of PP at 324 nm(3.82 eV), which is in very good agreement with the experimental value of 322 nm( 3.85 eV ) determined in solvent chloroform. The absorption spectra of the two protonation states both exert a red shift in various pH media.
文摘A new procedure has been developed successfully to prepare the maleimide-terminated poly (arylene ether sulphone ) oligomers. It was condueted by the aromatic nucleophilic substitution of the chloro-terminated poly (arylene ether sulphone) oligomer by an endblocking monomer, N-(4-hydroxyphenyl) maleimide. The reaction and structure of the product were confirmed by FT-IR. 1H-NMR and elemental analysis.
文摘A new series of fully aromatic thermotropic liquid crystalline copolyesters were synthesized by thermal polycondensation of p-hydroxybenzoic acid [PHB], terephthalic acid [TPA], resorcinol [RES] and bis (4-hydroxyphenyl) methanone [BHP]. The DSC traces of copolyesters exhibited two or three endotherms, the low temperature endotherm(Tm) of which indicated the transition from solid state to anisotropic phase. Observation under polarizing microscope and WAXD measurements suggested that the LC-phase formed immediately above Tm had a nematic character.
文摘A convenient method to synthesize substituted 2 (2' hydroxyphenyl) benzimidazoles is reported. Six title compounds have been synthesized by the reaction of salicylic acid and 4 substituted o phenylenediamine in the presence pyridine POCl 3 . Three compounds were tested as plant virucide against tobacco mosaic virus and they exhibited some activities.
文摘The two new diarylheptanoids, 1,7-bis(4-hydroxyphenyl)-1,4,6 (l) and aecrogenin G (2) were Synthesized starting from 4-hydroxybenzaldehyde (3) and acetone
文摘A facile synthesis of the analog of curcumin. 1,7-bis (4-hydroxyphenyl)-3-hydroxy-1.3-heptadien-5-one 1 was achieved. The key step was completed through the regioselective condensation of ketone 5 and acyl chloride 7.
基金Supported by the National Natural Science Foundation of China(No.20672104)
文摘The reaction mechanisms of intermolecular cleavage reaction of N-(2-hydroxyphenyl)-phthalamic acid were studied via the density functional theory(DFT). All geometries of the reactant, transition states, and products were optimized at the B3LYP/6-31G(d, p) level. Vibration analysis was carried out to confirm its identity as transitions' structure, and the intrinsic reaction coordinate method(IRC) was used to search the minimum energy path. Two possible reaction channels are reported in this article. The calculated results indicate that O-cyclization reaction channel has the lower activation barrier, and therefore, it occurs more easier than the other.
基金Supported by the National Natural Science Foundation of China (No. 20773129)
文摘The reaction of Co(OAc)2·4H2O with the Schiff base H2L in a methanol solution affords the red crystals of { [Co^ⅢL2]·[Co^Ⅱ(H2O)6]0.5·2.25H2O}4 1 (H2L = N-(2-hydroxyphenyl) salicylidenimine). The molecular and crystal structures were determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group P21/n, C104Hi14Co6NaO37, Mr = 2421.61, a = 10.625(3), b = 16.335(4), c = 15.265(4)A^°, β = 102.990(4)°, V= 2581.6(11)A^°^3, Z = 1, Dc= 1.558 g/cm^3,μ = 1.034 mm^-1, F(000) = 1252, R = 0.0414 and wR = 0.1167 for 5889 reflections. The Co(HI) atom is six-coordinated by two nitrogen atoms and four oxygen atoms of two tridentate L ligands. The abundant hydrogen bonding interactions extend the complex into a one-dimensional supra- molecular framework. The uncoordinated water molecules act as space-fillers and consolidate the whole architecture through the hydrogen bonding interactions.
基金This project was supported by the NNSFC (No. 20371039), National Basic Research Program of China (the 973 Program, No. 2003CB214606), and the Key Laboratory Research and Establishment Program and NSF of Department of Education of Shaanxi Province (No. 03JS006 and No. 04JK143)
文摘A new quinazolinone compound 2,3-dihydro-2-(2-hydroxyphenyl)-3-phenyl- quinazolin-4(1H)-one 3 ([C20H16O2N2]?C2H5OH, Mr = 362.42) and compound 2-(2-hydroxy- benzylidene-amino)-N-phenyl-benzamide 2 (C20H16O2N2, Mr = 316.34) were prepared from a precursor of 2-amino-N-phenyl-benzamide 1 (C13H12ON2, Mr = 212.25). Compound 3 was characterized by single-crystal X-ray diffraction analysis. The crystal belongs to orthorhombic, space group Pbca with a = 1.2889(11), b = 1.6170(14), c = 1.7729(15) nm, V = 3.695(6) nm3, Z = 8, F(000) = 1536, Mr = 362.42, Dc = 1.303 g/cm3, μ(MoKα) = 0.087 mm-1, R = 0.0447 and wR = 0.0879. The crystal structure analysis indicates that the title compound has a two-dimensional network structure formed by hydrogen bonds and electrostatic interactions.
基金Supported by the National Natural Science Foundation of China(Nos.20976135,21176194)
文摘According to the superposition principle of reinforcement of biological activities, 24 novel 1,4- disubstituted phenyl-5-(halo-2-hydroxyphenyl)imino-l,2,3-triazoles was synthesized and characterized by 1H NMR, ^13C NMR, elemental analysis and IR. All the target compounds were screened for their antibacterial potential in vitro against Monilia albican, Escherichia coli and Staphylococcus aureus. It was shown that all the compounds possessed efficient antibacterial activities at a concentration of 0.1 mg/mL, even at a concentration of 0.01 mg/mL, some of the compounds still exhibited antibacterial activities against Escherichia coli and Monilia albican. At last, the struc- ture-activity relationship was discussed based on the antibacterial results.
文摘2-(4-Hydroxyphenyl)-3-hydroxymethyl-1,4-benzodioxane-6-aldehyde 8,the key intermediate of sinaiticin 10,was synthesized in 6 step from caffeic acid 4 and 4- hydroxybenzsaldehyde 1.the coupling reaction is the key step.
文摘Results of oxidation 2-(N-acetylamine)-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-propionic acid oxygen depend on temperature. At 55℃?- 60℃, 2,4-di-tert-butylbicyclo(4,3,1)deca-4,6-dien-8-(N-acetylamine)-3,9-dion-1-oxa is formed. The constitution is based on dates of spectrums 1Н and 13С NMR. At 95℃?- 97℃, mixtures of 2,4-di-tert-butylbicyclo(4,3,1)deca-4,6-dien-8-(N-acetylamine)-3,9-dion-1-oxa and of 6,8-di-tert-butyl-3-(N-acetylamine)spiro(4,5)deca-1-oxa-5,8-dien-2,7-dione are produced. Structures are calculated by the method of Hartrii-Foka. Values of enthalpies and of entropies allow to assume dynamic isomerism.