4-benzyl-2-ethylsulfanyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-benzyl-2-ethylsulfanyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
• 英文别名: Quinoline-3-carbonitrile, 1,4,5,6,7,8-hexahydro-4-benzyl-2-ethylthio-5-oxo-；4-benzyl-2-ethylsulfanyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
• 化学式: C₁₉H₂₀N₂OS
• 分子量: 324.447
• InChiKey: DHTJNQZEEHJARL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  78.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N-methylmorpholinium 4-benzyl-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinoline-2-thiolate 、 碘乙烷 以 N,N-二甲基甲酰胺 为溶剂， 反应 50.0h， 以79%的产率得到4-benzyl-2-ethylsulfanyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
  参考文献：
  名称：

  Aliphatic aldehydes in multicomponent syntheses of 4-alkyl-substituted partially hydrogenated quinolines, fused 4H-pyrans, and 2-amino-4-ethyl-5-methylbenzene-1,3-dicarbonitrile

  摘要：

  The Knoevenagel condensation of aliphatic aldehydes with CH acids, malonodinitrile, cyanothioacetamide, cyclohexane-1,3-dione, dimedone, 4-hydroxycoumarin, 3-aminophenol, and N-(cyclohex-1-enyl)morpholine leads to formation of 4-alkyl-substituted partially hydrogenated quinolines, fused 4H-pyrans, and 2-amino-4-ethyl-5-methylbenzene-1,3-dicarbonitrile. The structure of the latter was proved by the X-ray diffraction data.

  DOI：

  10.1134/s1070428006040142

文献信息

• Aliphatic aldehydes in multicomponent syntheses of 4-alkyl-substituted partially hydrogenated quinolines, fused 4H-pyrans, and 2-amino-4-ethyl-5-methylbenzene-1,3-dicarbonitrile
  作者：V. D. Dyachenko、A. N. Chernega

  DOI：10.1134/s1070428006040142

  日期：2006.4

  The Knoevenagel condensation of aliphatic aldehydes with CH acids, malonodinitrile, cyanothioacetamide, cyclohexane-1,3-dione, dimedone, 4-hydroxycoumarin, 3-aminophenol, and N-(cyclohex-1-enyl)morpholine leads to formation of 4-alkyl-substituted partially hydrogenated quinolines, fused 4H-pyrans, and 2-amino-4-ethyl-5-methylbenzene-1,3-dicarbonitrile. The structure of the latter was proved by the X-ray diffraction data.