4-(4-chlorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide | 346714-73-6

• 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: 4-(4-chlorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
• 英文别名: 4-(4-chlorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• CAS: 346714-73-6
• 化学式: C₂₄H₂₃ClN₂O₂
• 分子量: 406.912
• InChiKey: NHNDBYBGIMGBNV-UHFFFAOYSA-N

物化性质

• 熔点：
  243-245 °C(Solv: ethanol (64-17-5))
• 沸点：
  623.1±55.0 °C(Predicted)
• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2'-甲基乙酰乙酰苯胺 、 4-氯苯甲醛 、 1,3-环己二酮 在 ammonium acetate 作用下， 以50%的产率得到4-(4-chlorophenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
  参考文献：
  名称：

  Synthesis of 4,N-diaryl-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamides

  摘要：

  Cyclohexane-1,3-dione reacted with substituted benzaldehydes and N-arylacetoacetamides in the presence of ammonium acetate under solvent-free conditions (150-160A degrees C, 10-20 min) to give the corresponding 4,N-diaryl-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamides. The product structure was determined by IR and (1)H NMR spectroscopy and mass spectrometry.

  DOI：

  10.1134/s1070428011060091

文献信息

• Synthesis of 4,N-diaryl-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamides
  作者：V. L. Gein、M. I. Kazantseva、A. A. Kurbatova

  DOI：10.1134/s1070428011060091

  日期：2011.6

  Cyclohexane-1,3-dione reacted with substituted benzaldehydes and N-arylacetoacetamides in the presence of ammonium acetate under solvent-free conditions (150-160A degrees C, 10-20 min) to give the corresponding 4,N-diaryl-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamides. The product structure was determined by IR and (1)H NMR spectroscopy and mass spectrometry.