A mild and efficient procedure to build up various chromone-2-carboxylates was developed. Condensation of diverse 2-hydroxyacetophones with tetr-butyl oxalate in the presence of sodium ethoxide could be accomplished r...A mild and efficient procedure to build up various chromone-2-carboxylates was developed. Condensation of diverse 2-hydroxyacetophones with tetr-butyl oxalate in the presence of sodium ethoxide could be accomplished rapidly under mild condition. Cyclodehydration was carried out to achieve chromone-2-carboxylates in one-pot with impressive yield. Advantages over conventional methods with diethyl oxalate were observed in yield and reaction time.展开更多
Di（o-cyanobenzyl）tin bis（quinoline-2-carboxylate） was synthesized by the reaction of tri（o-cyanobenzyl）tin chloride with quinoline-2-carboxylic acid. The molecular structure of the compound was characterized by ...Di（o-cyanobenzyl）tin bis（quinoline-2-carboxylate） was synthesized by the reaction of tri（o-cyanobenzyl）tin chloride with quinoline-2-carboxylic acid. The molecular structure of the compound was characterized by elemental analysis, IR, 1H NMR and X-ray diffraction. Crystal data for the compound： tficlinic, space group P1, a = 0.80734（7）, b = 1.00681（9）, c = 1.04811（9） nm, a = 81.7570（10）, β = 7.7240（10）,γ = 81.2850（10）°, V = 0.77581（12） nm3, Z = 1, Dc = 1.488 g/cm3, μ（MoKa） = 0.870 mm^-1 and F（000） = 350. The final R= 0.0204 and wR= 0.0530 for 2677 observed reflections with I 〉2σ（I）, and R = 0.0208 and wR = 0.0532 for all reflections. The molecular structure adopts a distorted octahedral geometry around the Sn atom. The title compound molecules are connected via hydrogen bonding interactions to form a 3D network structure. Quantum chemistry calculation study on the title compound has been performed by means of G98W package at the Lanl2dz basis set. The stability of the compound, orbital energies and some frontier molecular orbital composition characteristics have also been investigated.展开更多
A 3D coordination polymer [Zn2（hqc）2（H2O）]n has been obtained from the reaction of 4-hydroxyquinoline-2-carboxylic acid （H2hqc） with zinc（II） salt under hydrothermal condition, and characterized by elemental a...A 3D coordination polymer [Zn2（hqc）2（H2O）]n has been obtained from the reaction of 4-hydroxyquinoline-2-carboxylic acid （H2hqc） with zinc（II） salt under hydrothermal condition, and characterized by elemental analysis, IR, TGA, PXRD and X-ray single-crystal diffraction. The complex crystallizes in the monoclinic system, space group P21/c with a = 14.305（2）, b = 9.132（2）, c = 15.356（2）, β = 103.586（7）o, V = 1949.9（4）3, Z = 4, Dc = 1.782 g/cm3, μ = 2.508 mm-1, Mr = 523.06, F（000） = 1048, T = 293（2） K, λ（MoKα） = 0.71073, S = 1.008, the final R = 0.0329 and wR = 0.0745 for 3849 observed reflections （I 〉 2σ（I））. The title complex features a 3D framework via Zn（2） linking the 1D {Zn1（hqc）2}n chains. Thermogravimetric analysis shows that its framework is highly thermally stable up to 556 ℃ in the solid state.展开更多
A series of novel indole-2-carboxylate derivatives were synthesized and assayed to determine their in vitro broad-spectrum antiviral activities.The biological results showed that some of the synthesized compounds exhi...A series of novel indole-2-carboxylate derivatives were synthesized and assayed to determine their in vitro broad-spectrum antiviral activities.The biological results showed that some of the synthesized compounds exhibited potent broad-spectrum antiviral activity.Notably,compound 8f showed the highest SI value(17.1)to Cox B3 virus.Compound 14f showed both potent inhibitory activity against influenza A(IC_(50)=7.53μmol/L)and the highest SI value(12.1).SAR results showed that the alkyloxy at the 4-position of indole ring was not crucial to the antiviral activities.Incorporation of an acetyl substituent at the amino group disfavored antiviral activity towards RNA viruses.展开更多
Triphenyltin thiazole-2-carboxylate (1) and triphenyltin 3-pyridinylcarboxylate (2) were synthesized by the reaction of sodium thiazole-2-carboxylate or sodium 3-pyridinylcarboxylate with the triphenyltin chloride and...Triphenyltin thiazole-2-carboxylate (1) and triphenyltin 3-pyridinylcarboxylate (2) were synthesized by the reaction of sodium thiazole-2-carboxylate or sodium 3-pyridinylcarboxylate with the triphenyltin chloride and their crystal structures were determined by single crystal X-ray diffraction analysis. In the structure of 1, the tin atom is five-coordinated in a distorted trigonal bipyramidal structure. Due to the presence of a close intermolecular Sn...S interaction distance of 0.3666 nm, the structure can be described as a weakly-bridged one-dimensional chain compound. In the structure of 2, the tin atom is five-coordinated with bridging 3-pyridinylcarboxylate ligands N atom and resulting structure is one-dimensional chain compound.展开更多
文摘A mild and efficient procedure to build up various chromone-2-carboxylates was developed. Condensation of diverse 2-hydroxyacetophones with tetr-butyl oxalate in the presence of sodium ethoxide could be accomplished rapidly under mild condition. Cyclodehydration was carried out to achieve chromone-2-carboxylates in one-pot with impressive yield. Advantages over conventional methods with diethyl oxalate were observed in yield and reaction time.
基金Supported by the Key Foundation of Educational Department of Hunan Province (06A009)the Construct Program of the Key Discipline in Hunan Province and Hengyang Bureau of Science & Technology (06kj17)
文摘Di（o-cyanobenzyl）tin bis（quinoline-2-carboxylate） was synthesized by the reaction of tri（o-cyanobenzyl）tin chloride with quinoline-2-carboxylic acid. The molecular structure of the compound was characterized by elemental analysis, IR, 1H NMR and X-ray diffraction. Crystal data for the compound： tficlinic, space group P1, a = 0.80734（7）, b = 1.00681（9）, c = 1.04811（9） nm, a = 81.7570（10）, β = 7.7240（10）,γ = 81.2850（10）°, V = 0.77581（12） nm3, Z = 1, Dc = 1.488 g/cm3, μ（MoKa） = 0.870 mm^-1 and F（000） = 350. The final R= 0.0204 and wR= 0.0530 for 2677 observed reflections with I 〉2σ（I）, and R = 0.0208 and wR = 0.0532 for all reflections. The molecular structure adopts a distorted octahedral geometry around the Sn atom. The title compound molecules are connected via hydrogen bonding interactions to form a 3D network structure. Quantum chemistry calculation study on the title compound has been performed by means of G98W package at the Lanl2dz basis set. The stability of the compound, orbital energies and some frontier molecular orbital composition characteristics have also been investigated.
基金supported by 973 (2011CB932504)NNSFC (20971121)NSF of Fujian Province
文摘A 3D coordination polymer [Zn2（hqc）2（H2O）]n has been obtained from the reaction of 4-hydroxyquinoline-2-carboxylic acid （H2hqc） with zinc（II） salt under hydrothermal condition, and characterized by elemental analysis, IR, TGA, PXRD and X-ray single-crystal diffraction. The complex crystallizes in the monoclinic system, space group P21/c with a = 14.305（2）, b = 9.132（2）, c = 15.356（2）, β = 103.586（7）o, V = 1949.9（4）3, Z = 4, Dc = 1.782 g/cm3, μ = 2.508 mm-1, Mr = 523.06, F（000） = 1048, T = 293（2） K, λ（MoKα） = 0.71073, S = 1.008, the final R = 0.0329 and wR = 0.0745 for 3849 observed reflections （I 〉 2σ（I））. The title complex features a 3D framework via Zn（2） linking the 1D {Zn1（hqc）2}n chains. Thermogravimetric analysis shows that its framework is highly thermally stable up to 556 ℃ in the solid state.
基金This work was supported by the National Natural Science Foundation of China(No.81273439)the National Mega-project for Innovative Drugs(No.2012ZX09301002-001-024-02).
文摘A series of novel indole-2-carboxylate derivatives were synthesized and assayed to determine their in vitro broad-spectrum antiviral activities.The biological results showed that some of the synthesized compounds exhibited potent broad-spectrum antiviral activity.Notably,compound 8f showed the highest SI value(17.1)to Cox B3 virus.Compound 14f showed both potent inhibitory activity against influenza A(IC_(50)=7.53μmol/L)and the highest SI value(12.1).SAR results showed that the alkyloxy at the 4-position of indole ring was not crucial to the antiviral activities.Incorporation of an acetyl substituent at the amino group disfavored antiviral activity towards RNA viruses.
基金ProjectsupportedbytheNaturalScienceFoundationofShandongProvince (No .Z2 0 0 1B0 2 )andtheFoundationofStateKeyLaborato ryofCrystalMaterials,ShandongUniversity
文摘Triphenyltin thiazole-2-carboxylate (1) and triphenyltin 3-pyridinylcarboxylate (2) were synthesized by the reaction of sodium thiazole-2-carboxylate or sodium 3-pyridinylcarboxylate with the triphenyltin chloride and their crystal structures were determined by single crystal X-ray diffraction analysis. In the structure of 1, the tin atom is five-coordinated in a distorted trigonal bipyramidal structure. Due to the presence of a close intermolecular Sn...S interaction distance of 0.3666 nm, the structure can be described as a weakly-bridged one-dimensional chain compound. In the structure of 2, the tin atom is five-coordinated with bridging 3-pyridinylcarboxylate ligands N atom and resulting structure is one-dimensional chain compound.
