2-amino-1-(4-bromophenyl)-7,7-dimethyl-4-(4-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile | 311774-43-3

• 英文名称: 2-amino-1-(4-bromophenyl)-7,7-dimethyl-4-(4-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
• 英文别名: 2-Amino-1-(4-bromophenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile；2-amino-1-(4-bromophenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
• CAS: 311774-43-3
• 化学式: C₂₄H₂₁BrFN₃O
• 分子量: 466.353
• InChiKey: DHSDIQVKFDJIBE-UHFFFAOYSA-N

物化性质

• 熔点：
  253-255 °C(Solv: N,N-dimethylformamide (68-12-2); water (7732-18-5))
• 沸点：
  632.4±55.0 °C(Predicted)
• 密度：
  1.48±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  30
• 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：
  70.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-(4-溴苯胺基)-5,5-二甲基环己-2-烯-1-酮 、 对氟苯甲醛 、 丙二腈 在 1-butyl-3-methylimidazolium Tetrafluoroborate 作用下， 反应 6.0h， 以94%的产率得到2-amino-1-(4-bromophenyl)-7,7-dimethyl-4-(4-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
  参考文献：
  名称：

  Three-component green synthesis of N-arylquinoline derivatives in ionic liquid [Bmim+][BF4−]: reactions of arylaldehyde, 3-arylamino-5,5-dimethylcyclohex-2-enone, and active methylene compounds

  摘要：

  Three series of N-arylquinoline derivatives were synthesized by the three-component reactions of arylaidehyde, 3-arylamino-5,5-diinethyleyclohex-2-enone, and active methylene compounds including malononitrile, meldrum's acid, and 1,3-indenedione in ionic liquid [bmim(+)][BF4-] at 90 degrees C. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.03.068