Cyanopyridine was at first catalytically hydrolyzed to give isonicotinamide in the presence of Mg-Fe oxides with yield 92%. 4-Aminopyridine was obtained from isonicotinamide in yield of 83%~85% by Hofmann reaction us...Cyanopyridine was at first catalytically hydrolyzed to give isonicotinamide in the presence of Mg-Fe oxides with yield 92%. 4-Aminopyridine was obtained from isonicotinamide in yield of 83%~85% by Hofmann reaction using iodo-benzene as catalyst. All of the reaction were monitored by TLC and the products were confirmed by IR, NMR and melting point determination.展开更多
The title compound 2-amino-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-methyl-6- phenyl nicotinonitrile, C21H19N3O3, was synthesized via four-component reactions between propiophenone, malononitrile, syringaldehyde and ammo...The title compound 2-amino-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-methyl-6- phenyl nicotinonitrile, C21H19N3O3, was synthesized via four-component reactions between propiophenone, malononitrile, syringaldehyde and ammonium acetate in ethanol under reflux without catalyst and characterized by IR, 1H NMR, 13C NMR, MS, EA and single-crystal X-ray diffraction. Single-crystal X-ray diffraction analysis shows that the compound is of monoclinic system, space group P21/n with a = 8.4600(17), b = 17.139(3), c = 13.408(3) A, β= 107.06(3)°, V= 1858.6(6) A3, Z = 4, Mr = 361.39, F(000) = 760, μ(MoKa) = 0.088 mm^-1 Dc = 1.292 g/cm3, 2 = 0.71073 A, the final R = 0.0751 and wR = 0.0938 for 3333 observed reflections with I〉 2σ(I). The crystal packing of the title compound is stabilized by intermolecular hydrogen bonds.展开更多
2-Hydroxy-4,6-dimethylpyridine-3-carbonitrile and 2-chloro-4,6-dimethylpyridine-3-carbonitrile compounds have been studied from a theoretical point of view in order to know their structural and vibrational properties ...2-Hydroxy-4,6-dimethylpyridine-3-carbonitrile and 2-chloro-4,6-dimethylpyridine-3-carbonitrile compounds have been studied from a theoretical point of view in order to know their structural and vibrational properties in gas and aqueous solution phases by means of Density Functional Theory (DFT) calculations. The stable structures in both media were optimized by using the hybrid B3LYP/6-31G* method and the solvent effects in aqueous solution were studied by using the integral equation formalism of the polarizable continuum model (IEFPCM) employing the selfconsistent reaction field (SCRF) method. Detailed vibrational analyses for both compounds in the two phases were performed combining the DFT calculations with Pulay’s Scaled Quantum Mechanics Force Field (SQMFF) methodology. The different interactions for both compounds were analyzed by means of the bond orders, atomic charges, solvation energies, dipole moments, molecular electrostatic potentials and force constants parameters. The nature of the interactions was studied by using different descriptors.展开更多
The polymerization rates of three cyanopyridines catalyzed by cuprous chloride-zinc system are measured, and the structure of the formed polymer is also determined. Compared with aromatic nitrile, cyanopyridines polym...The polymerization rates of three cyanopyridines catalyzed by cuprous chloride-zinc system are measured, and the structure of the formed polymer is also determined. Compared with aromatic nitrile, cyanopyridines polymerize faster and form polyconjugated polymer with skeleton—(C=N)—;instead of triazine structure. This chain-polymer possesses semiconductive property, and can be converted into conductive material by thermal treatment. In addition, the polymerization kinetics of 3-cyanopyridine catalyzed by 3-cyanopyridinium perchlorate is investigated. It is found that the polymerization rate is directly proportional to the concentrations of monomer and catalyst, and the activation energy of the polymerization is 103.1 KJ/mol.展开更多
This paper describes the effect of the in situ hydrolysis of 2-cyanopyridine and its derivatives on the synthesis of dimethyl carbonate(DMC) from CO2 and methanol over CeO2.2-Cyanopyridine.with the highest electroni...This paper describes the effect of the in situ hydrolysis of 2-cyanopyridine and its derivatives on the synthesis of dimethyl carbonate(DMC) from CO2 and methanol over CeO2.2-Cyanopyridine.with the highest electronic charge number of the carbon in the cyanogroup,is the most effective agent to accelerate the desired reaction by a decrease of water.CeO2(110) planes are active for the hydrolysis of 2-cyanopyridine,further enhancing the DMC formation by in situ removal of water effectively.The DMC yield is improved drastically up to 378.5 mmol g cat^-1 from 12.8 mmol g cat^-1 with the in situ hydrolysis of 2-cyanopyridine over rod-CeO2(1 1 0) catalyst.展开更多
Turpentine is a renewable and resourceful forest product.The deep processing and utilization of turpentine,particularly its primary componentβ-pinene,has garnered widespread attention.This study aimed to synthesize 4...Turpentine is a renewable and resourceful forest product.The deep processing and utilization of turpentine,particularly its primary componentβ-pinene,has garnered widespread attention.This study aimed to synthesize 40 derivatives ofβ-pinene,including nopinone,3-cyanopyridines of nopinone,myrtanyl acid,myrtanyl acylthioureas,and myrtanyl amides.We assessed the antiviral activities of theseβ-pinene derivatives against influenza virus A/Puerto Rico/8/34(H1N1)using the 3-(4,5-dimetylthiazol-2-yl)-2,5-diphenyltetrazolium bromide method.Theβ-pinene derivatives were used before and after cellular infection with the influenza virus to evaluate their preventive and therapeutic effects against the H1N1 virus.The results showed that only compound 10o exhibited a preventive effect against the H1N1 virus with a half-maximal inhibitory concentration(IC50)value of 47.6μmol/L.Among the compounds,4e,4i,and 4l demonstrated therapeutic effects against cellular infection,with compound 4e displaying the most potent therapeutic effect(IC50=17.5μmol/L),comparable to the positive control ribavirin.These findings indicated that certainβ-pinene derivatives exhibited in vitro antiviral activity against the H1N1 influenza A virus,warranting further investigation as potential anti-influenza agents.展开更多
An efficient method for the synthesis of novel pyrido[3'',2'':4',5']thieno[3',2':2,3]pyrido [4,5:d][1,3]thiazolo[3,2-a]pyrimidine-4-one derivatives(5) has been developed using a Pictet–Spengler reaction ...An efficient method for the synthesis of novel pyrido[3'',2'':4',5']thieno[3',2':2,3]pyrido [4,5:d][1,3]thiazolo[3,2-a]pyrimidine-4-one derivatives(5) has been developed using a Pictet–Spengler reaction between 2-(3-aminothieno[2,3-b]pyridin-2-yl)thiazolo[3,2-a] pyrimidin-5-one(3), which could be obtained from the condensation of 7-(chloromethyl)-5H-thiazolo[3,2-a]pyrimidin-5-one(1) with3-cyanopyridine-2-thione(2) via Thorpe–Ziegler isomerization, and aromatic aldehydes under NH2SO3 H as catalysis in good yields.展开更多
文摘Cyanopyridine was at first catalytically hydrolyzed to give isonicotinamide in the presence of Mg-Fe oxides with yield 92%. 4-Aminopyridine was obtained from isonicotinamide in yield of 83%~85% by Hofmann reaction using iodo-benzene as catalyst. All of the reaction were monitored by TLC and the products were confirmed by IR, NMR and melting point determination.
基金supported by the President of the ChineseAcademy of Forestry Foundation (CAFYBB2008009)
文摘The title compound 2-amino-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-methyl-6- phenyl nicotinonitrile, C21H19N3O3, was synthesized via four-component reactions between propiophenone, malononitrile, syringaldehyde and ammonium acetate in ethanol under reflux without catalyst and characterized by IR, 1H NMR, 13C NMR, MS, EA and single-crystal X-ray diffraction. Single-crystal X-ray diffraction analysis shows that the compound is of monoclinic system, space group P21/n with a = 8.4600(17), b = 17.139(3), c = 13.408(3) A, β= 107.06(3)°, V= 1858.6(6) A3, Z = 4, Mr = 361.39, F(000) = 760, μ(MoKa) = 0.088 mm^-1 Dc = 1.292 g/cm3, 2 = 0.71073 A, the final R = 0.0751 and wR = 0.0938 for 3333 observed reflections with I〉 2σ(I). The crystal packing of the title compound is stabilized by intermolecular hydrogen bonds.
文摘2-Hydroxy-4,6-dimethylpyridine-3-carbonitrile and 2-chloro-4,6-dimethylpyridine-3-carbonitrile compounds have been studied from a theoretical point of view in order to know their structural and vibrational properties in gas and aqueous solution phases by means of Density Functional Theory (DFT) calculations. The stable structures in both media were optimized by using the hybrid B3LYP/6-31G* method and the solvent effects in aqueous solution were studied by using the integral equation formalism of the polarizable continuum model (IEFPCM) employing the selfconsistent reaction field (SCRF) method. Detailed vibrational analyses for both compounds in the two phases were performed combining the DFT calculations with Pulay’s Scaled Quantum Mechanics Force Field (SQMFF) methodology. The different interactions for both compounds were analyzed by means of the bond orders, atomic charges, solvation energies, dipole moments, molecular electrostatic potentials and force constants parameters. The nature of the interactions was studied by using different descriptors.
文摘The polymerization rates of three cyanopyridines catalyzed by cuprous chloride-zinc system are measured, and the structure of the formed polymer is also determined. Compared with aromatic nitrile, cyanopyridines polymerize faster and form polyconjugated polymer with skeleton—(C=N)—;instead of triazine structure. This chain-polymer possesses semiconductive property, and can be converted into conductive material by thermal treatment. In addition, the polymerization kinetics of 3-cyanopyridine catalyzed by 3-cyanopyridinium perchlorate is investigated. It is found that the polymerization rate is directly proportional to the concentrations of monomer and catalyst, and the activation energy of the polymerization is 103.1 KJ/mol.
基金Financial support by Natural Science Foundation of China (NSFC,Nos.21176179,U1462122)the Program for New Century Excellent Talents in University(No.NCET-13-0411) is gratefully acknowledged
文摘This paper describes the effect of the in situ hydrolysis of 2-cyanopyridine and its derivatives on the synthesis of dimethyl carbonate(DMC) from CO2 and methanol over CeO2.2-Cyanopyridine.with the highest electronic charge number of the carbon in the cyanogroup,is the most effective agent to accelerate the desired reaction by a decrease of water.CeO2(110) planes are active for the hydrolysis of 2-cyanopyridine,further enhancing the DMC formation by in situ removal of water effectively.The DMC yield is improved drastically up to 378.5 mmol g cat^-1 from 12.8 mmol g cat^-1 with the in situ hydrolysis of 2-cyanopyridine over rod-CeO2(1 1 0) catalyst.
基金supported by the National Natural Science Foundation of China(Grant Number 32260370)Youth Talent Project of Major Academic and Technical Leaders Training Program of Jiangxi Province(Grant Number 20204BCJL23045)+2 种基金Special Research Project on Camphor Tree(KRPCT)of Jiangxi Forestry Department(Grant Number 2020CXZX07)Innovative Leading Talent Short-Term Project in Natural Science Area of Jiangxi Province(Grant Number jxsq2018102072)the Key Research and Development Program of Jiangxi Province(Grant Number 20192BBFL60014).
文摘Turpentine is a renewable and resourceful forest product.The deep processing and utilization of turpentine,particularly its primary componentβ-pinene,has garnered widespread attention.This study aimed to synthesize 40 derivatives ofβ-pinene,including nopinone,3-cyanopyridines of nopinone,myrtanyl acid,myrtanyl acylthioureas,and myrtanyl amides.We assessed the antiviral activities of theseβ-pinene derivatives against influenza virus A/Puerto Rico/8/34(H1N1)using the 3-(4,5-dimetylthiazol-2-yl)-2,5-diphenyltetrazolium bromide method.Theβ-pinene derivatives were used before and after cellular infection with the influenza virus to evaluate their preventive and therapeutic effects against the H1N1 virus.The results showed that only compound 10o exhibited a preventive effect against the H1N1 virus with a half-maximal inhibitory concentration(IC50)value of 47.6μmol/L.Among the compounds,4e,4i,and 4l demonstrated therapeutic effects against cellular infection,with compound 4e displaying the most potent therapeutic effect(IC50=17.5μmol/L),comparable to the positive control ribavirin.These findings indicated that certainβ-pinene derivatives exhibited in vitro antiviral activity against the H1N1 influenza A virus,warranting further investigation as potential anti-influenza agents.
文摘An efficient method for the synthesis of novel pyrido[3'',2'':4',5']thieno[3',2':2,3]pyrido [4,5:d][1,3]thiazolo[3,2-a]pyrimidine-4-one derivatives(5) has been developed using a Pictet–Spengler reaction between 2-(3-aminothieno[2,3-b]pyridin-2-yl)thiazolo[3,2-a] pyrimidin-5-one(3), which could be obtained from the condensation of 7-(chloromethyl)-5H-thiazolo[3,2-a]pyrimidin-5-one(1) with3-cyanopyridine-2-thione(2) via Thorpe–Ziegler isomerization, and aromatic aldehydes under NH2SO3 H as catalysis in good yields.
基金National Natural Science Foundation of China(No.21206055)National High Technology Research and Development Program of China(863 Program)(No.2011AA02A211)~~