2-(3-chloro-2-methylphenylamino)-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)quinoline-3-carbonitrile | 1321623-16-8

• 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-(3-chloro-2-methylphenylamino)-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)quinoline-3-carbonitrile
• 英文别名: 2-(3-Chloro-2-methylanilino)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
• CAS: 1321623-16-8
• 化学式: C₂₄H₂₂ClN₃O
• 分子量: 403.911
• InChiKey: KSDDISCVSCGLBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  57.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  环己酮 、 4-甲氧基苯甲醛 、 3-氯-2-甲基苯胺 、 丙二腈 在 1-butyl-3-methylimidazolium hydroxide 作用下， 反应 5.0h， 以67%的产率得到2-(3-chloro-2-methylphenylamino)-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)quinoline-3-carbonitrile
  参考文献：
  名称：

  One-Pot Synthesis of N2-Substituted 2-Amino-4-aryl-5,6,7,8-tetrahydroquinoline-3-carbonitrile in Basic Ionic Liquid [bmim]OH

  摘要：

  N2-Methyl- or aryl-substituted 2-amino-4-aryl-5,6,7,8-tetrahydroquinoline-3-carbonitriles were synthesized via a four-component, one-pot reaction of aromatic aldehyde, cyclohexanone, malononitrile, and amines in basic ionic liquid [bmim]OH with good to excellent yields. During this transformation, at least 11 bonds were cleaved and 7 new bonds were constructed.

  DOI：

  10.1080/00397911.2010.516459

文献信息

• One-Pot Synthesis of <i>N2</i>-Substituted 2-Amino-4-aryl-5,6,7,8-tetrahydroquinoline-3-carbonitrile in Basic Ionic Liquid [bmim]OH
  作者：Yu Wan、Rui Yuan、Fu-Ren Zhang、Li-Ling Pang、Rui Ma、Cai-Hui Yue、Wei Lin、Wei Yin、Rong-Cheng Bo、Hui Wu

  DOI：10.1080/00397911.2010.516459

  日期：2011.10.15

  N2-Methyl- or aryl-substituted 2-amino-4-aryl-5,6,7,8-tetrahydroquinoline-3-carbonitriles were synthesized via a four-component, one-pot reaction of aromatic aldehyde, cyclohexanone, malononitrile, and amines in basic ionic liquid [bmim]OH with good to excellent yields. During this transformation, at least 11 bonds were cleaved and 7 new bonds were constructed.