2-amino-1-(3-chloro-4-fluorophenyl)-7,7-dimethyl-1,4,5,6,7,8-hexahydro-4-(3-nitrophenyl)-5-oxo-quinoline-3-carbonitrile | 1032467-76-7

• 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: 2-amino-1-(3-chloro-4-fluorophenyl)-7,7-dimethyl-1,4,5,6,7,8-hexahydro-4-(3-nitrophenyl)-5-oxo-quinoline-3-carbonitrile
• 英文别名: 2-amino-1-(3-chloro-4-fluorophenyl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
• CAS: 1032467-76-7
• 化学式: C₂₄H₂₀ClFN₄O₃
• 分子量: 466.899
• InChiKey: AMAZWKSVQQCKHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  33
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  116
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  间硝基苯甲醛 、 9-bromo-2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-4,5-dihydropyrrolo[2,3,4-kl]acridin-1(2H)-one 、 丙二腈 反应 0.17h， 以98%的产率得到2-amino-1-(3-chloro-4-fluorophenyl)-7,7-dimethyl-1,4,5,6,7,8-hexahydro-4-(3-nitrophenyl)-5-oxo-quinoline-3-carbonitrile
  参考文献：
  名称：

  Uncatalyzed and Solvent‐Free Process for the Synthesis of 1,4‐Diarylquinoline Derivatives

  摘要：

  The uncatalyzed and three-component reaction of arylaldehyde, malonodinitrile, and 3-arylamino-5,5-dimethylcyclohex-2-enone at 160 degrees C under solvent-free conditions gave 1,4-diarylquinoline derivatives in high yields.

  DOI：

  10.1080/00397910801916397

文献信息

• Uncatalyzed and Solvent‐Free Process for the Synthesis of 1,4‐Diarylquinoline Derivatives
  作者：Xiang‐Shan Wang、Mei‐Mei Zhang、Hong Jiang、Chang‐Sheng Yao、Shu‐Jiang Tu

  DOI：10.1080/00397910801916397

  日期：2008.4

  The uncatalyzed and three-component reaction of arylaldehyde, malonodinitrile, and 3-arylamino-5,5-dimethylcyclohex-2-enone at 160 degrees C under solvent-free conditions gave 1,4-diarylquinoline derivatives in high yields.