O-Ethyl S-hydrogen isoquinolin-l-ylcarbonothioimidate was synthesized and its structure was characterized by IR, MS, ^1H NMR, elemental analysis and single-crystal X-ray diffraction. The crystal belongs to monoclinic,...O-Ethyl S-hydrogen isoquinolin-l-ylcarbonothioimidate was synthesized and its structure was characterized by IR, MS, ^1H NMR, elemental analysis and single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/c with a = 10.9471（19）, b = 9.3968（17）, c = 10.6125（19） A, β = 100.761 （3）°, V = 1072.5（3） A^3, Z = 4, Dc = 1.439 g/cm^3, F（000） = 488 and μ = 0.279 mm^-1. A total of 7763 reflections were collected, of which 2090 were unique. The structure was refined to the final R = 0.0322 and wR = 0.0882 for 2016 observed reflections with Ⅰ 〉 2σ（Ⅰ）. The crystal structure shows that there are intramolecular N-H…S hydrogen bonds and π-π stacking interactions between adjacent molecules.展开更多
The crystal and molecular structures of O-ethyl-N-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)-thiocarbamate were determined by X-ray crystallography. It crystallizes in the orthorhombic system with space group P2(1)2(1)2(...The crystal and molecular structures of O-ethyl-N-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)-thiocarbamate were determined by X-ray crystallography. It crystallizes in the orthorhombic system with space group P2(1)2(1)2(1), lattice parameters a=0.90636(18) nm, b=0.94716(19) nm, c=2.1855(4) nm, V=1.8762(7) nm 3, and Z=4. All the substituents are in equatorial positions. There are four intramolecular interactions, each forming a five-membered ring. The molecules are linked by interactions to form three-dimensional framework. Atoms O6 and O8 show positional disorder.展开更多
A retention prediction system(RPS)of seven O-ethyl N-isopropyl phosphoro(thioureido)- thioates in reversed phase HPLC was investigated.The system is based on the solvent selectivity triangle concept.Three molecular st...A retention prediction system(RPS)of seven O-ethyl N-isopropyl phosphoro(thioureido)- thioates in reversed phase HPLC was investigated.The system is based on the solvent selectivity triangle concept.Three molecular structure parameters(hydrophobicity Ⅱ,substituent length L, and substituent maximum width B_5)were used to describe the quantitative structure-retention relation- ships.With these quantitative relationships,the retention behaviours of other eight homologs for different mobile phase composition were predicted.The predicted values were consistent with the measured values within relative error of 10%,which means that it is possible to apply the reported method to predict retention values for qualitative purposes for different mobile phase compositions.展开更多
A computer-assisted retention prediction system (RPS) of fifteen O-ethyl O-aryl N-iso- propyl phosphoramidothioates (1) in reversed-phase HPLC was investigated. The system is based on the use of four physicochemical p...A computer-assisted retention prediction system (RPS) of fifteen O-ethyl O-aryl N-iso- propyl phosphoramidothioates (1) in reversed-phase HPLC was investigated. The system is based on the use of four physicochemical parameters (hydrophobicity , electric effect σ, field effect F and steric effect ) which is closely related to the retention mechanism in reversed-phase HPLC. The system was evaluated by comparing the measured retention data with the predicted ones. The predicted values were consistent with the measured values within a relative error of 11.5%.展开更多
A new compound,O-ethyl S-hydrogen N-isoquinolin-1-yl carbonothioimidate(OESIQY) was synthesized,the photophysical behavior in ethanol and water mixed solution at different pH values was studied by fluorescence spectro...A new compound,O-ethyl S-hydrogen N-isoquinolin-1-yl carbonothioimidate(OESIQY) was synthesized,the photophysical behavior in ethanol and water mixed solution at different pH values was studied by fluorescence spectroscopy.It was observed that OESIQY emitted strong fluorescence in its zwitterions.It was also found that by the protonation of nitrogen atoms of OESIQY the intramolecular photoinduced electron transfer(PET) took place in the solution. This PET process depended on the acidity of the solution.展开更多
对芸香科植物黄皮树(PhellodendronchinenseSchneid)树皮的化学成分进行了研究。其方法:取药材2.5kg,加8倍量水回流煎煮3次,每次2h。加入工业酒精至含醇量为80%,抽滤,滤液回收乙醇至无醇味。依次用乙醚、乙酸乙酯、正丁醇萃取,回收溶... 对芸香科植物黄皮树(PhellodendronchinenseSchneid)树皮的化学成分进行了研究。其方法:取药材2.5kg,加8倍量水回流煎煮3次,每次2h。加入工业酒精至含醇量为80%,抽滤,滤液回收乙醇至无醇味。依次用乙醚、乙酸乙酯、正丁醇萃取,回收溶剂。通过反复硅胶柱层析,从不同极性部位共分得6个化合物,经理化及光谱方法鉴定分别为:黄柏酮(I)、黄柏内酯(II)、小檗碱(III)、巴马亭(IV),胡萝卜苷(V)和(+) 5 O 阿魏酰基奎宁酸乙酯(VI),其中化合物VI为新化合物,化合物I为首次从该植物中得到。展开更多
基金This work was supported by the Fund of Longyan College (No. Z03103)
文摘O-Ethyl S-hydrogen isoquinolin-l-ylcarbonothioimidate was synthesized and its structure was characterized by IR, MS, ^1H NMR, elemental analysis and single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/c with a = 10.9471（19）, b = 9.3968（17）, c = 10.6125（19） A, β = 100.761 （3）°, V = 1072.5（3） A^3, Z = 4, Dc = 1.439 g/cm^3, F（000） = 488 and μ = 0.279 mm^-1. A total of 7763 reflections were collected, of which 2090 were unique. The structure was refined to the final R = 0.0322 and wR = 0.0882 for 2016 observed reflections with Ⅰ 〉 2σ（Ⅰ）. The crystal structure shows that there are intramolecular N-H…S hydrogen bonds and π-π stacking interactions between adjacent molecules.
文摘The crystal and molecular structures of O-ethyl-N-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)-thiocarbamate were determined by X-ray crystallography. It crystallizes in the orthorhombic system with space group P2(1)2(1)2(1), lattice parameters a=0.90636(18) nm, b=0.94716(19) nm, c=2.1855(4) nm, V=1.8762(7) nm 3, and Z=4. All the substituents are in equatorial positions. There are four intramolecular interactions, each forming a five-membered ring. The molecules are linked by interactions to form three-dimensional framework. Atoms O6 and O8 show positional disorder.
文摘A retention prediction system(RPS)of seven O-ethyl N-isopropyl phosphoro(thioureido)- thioates in reversed phase HPLC was investigated.The system is based on the solvent selectivity triangle concept.Three molecular structure parameters(hydrophobicity Ⅱ,substituent length L, and substituent maximum width B_5)were used to describe the quantitative structure-retention relation- ships.With these quantitative relationships,the retention behaviours of other eight homologs for different mobile phase composition were predicted.The predicted values were consistent with the measured values within relative error of 10%,which means that it is possible to apply the reported method to predict retention values for qualitative purposes for different mobile phase compositions.
文摘A computer-assisted retention prediction system (RPS) of fifteen O-ethyl O-aryl N-iso- propyl phosphoramidothioates (1) in reversed-phase HPLC was investigated. The system is based on the use of four physicochemical parameters (hydrophobicity , electric effect σ, field effect F and steric effect ) which is closely related to the retention mechanism in reversed-phase HPLC. The system was evaluated by comparing the measured retention data with the predicted ones. The predicted values were consistent with the measured values within a relative error of 11.5%.
文摘A new compound,O-ethyl S-hydrogen N-isoquinolin-1-yl carbonothioimidate(OESIQY) was synthesized,the photophysical behavior in ethanol and water mixed solution at different pH values was studied by fluorescence spectroscopy.It was observed that OESIQY emitted strong fluorescence in its zwitterions.It was also found that by the protonation of nitrogen atoms of OESIQY the intramolecular photoinduced electron transfer(PET) took place in the solution. This PET process depended on the acidity of the solution.
文摘 对芸香科植物黄皮树(PhellodendronchinenseSchneid)树皮的化学成分进行了研究。其方法:取药材2.5kg,加8倍量水回流煎煮3次,每次2h。加入工业酒精至含醇量为80%,抽滤,滤液回收乙醇至无醇味。依次用乙醚、乙酸乙酯、正丁醇萃取,回收溶剂。通过反复硅胶柱层析,从不同极性部位共分得6个化合物,经理化及光谱方法鉴定分别为:黄柏酮(I)、黄柏内酯(II)、小檗碱(III)、巴马亭(IV),胡萝卜苷(V)和(+) 5 O 阿魏酰基奎宁酸乙酯(VI),其中化合物VI为新化合物,化合物I为首次从该植物中得到。
