(3E)-3-[(4-chloroanilino)methylidene]-1-pentylquinoline-2,4-dione | 1211947-78-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (3E)-3-[(4-chloroanilino)methylidene]-1-pentylquinoline-2,4-dione
• CAS: 1211947-78-2
• 化学式: C₂₁H₂₁ClN₂O₂
• 分子量: 368.863
• InChiKey: HOFUCWWGTPIFTA-NBVRZTHBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.06
• 重原子数：
  26.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  49.41
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  4-Hydroxy-2-oxo-1-pentylquinoline-3-carbaldehyde 、 对氯苯胺 在 巯基乙酸甲酯 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 为溶剂， 生成 (3E)-3-[(4-chloroanilino)methylidene]-1-pentylquinoline-2,4-dione 、
  参考文献：
  名称：

  4-Hydroxy-2-quinolones 166*. Synthesis, isomerism, and antitubercular activity of 3-arylaminomethylene-quinoline-2,4-(1H,3H)-diones

  摘要：

  Condensation of 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbaldehydes, thioglycolic acid ( or methyl thioglycolate), and anilines does not lead to the synthesis of the corresponding thiazolidinylquinolones because the Schiff bases so formed exist exclusively in a form inert to enamine thioglycolates. H-1 NMR spectroscopy showed that the main components of the isolated 3-arylaminomethylenequinoline-2,4-(1H,3H)-diones are E-isomers. The results of a study of the antitubercular properties of the compounds obtained are presented.

  DOI：

  10.1007/s10593-009-0356-x

文献信息

• 4-Hydroxy-2-quinolones 166*. Synthesis, isomerism, and antitubercular activity of 3-arylaminomethylene-quinoline-2,4-(1H,3H)-diones
  作者：I. V. Ukrainets、Liu Yangyang、A. A. Tkach、A. V. Turov

  DOI：10.1007/s10593-009-0356-x

  日期：2009.7

  Condensation of 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbaldehydes, thioglycolic acid ( or methyl thioglycolate), and anilines does not lead to the synthesis of the corresponding thiazolidinylquinolones because the Schiff bases so formed exist exclusively in a form inert to enamine thioglycolates. H-1 NMR spectroscopy showed that the main components of the isolated 3-arylaminomethylenequinoline-2,4-(1H,3H)-diones are E-isomers. The results of a study of the antitubercular properties of the compounds obtained are presented.