6-chloro-1-methyl-4-phenyl-3-(5,6,7,8-tetraphenylnaphthalen-1-yl)isoquinoline | 1648787-43-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 6-chloro-1-methyl-4-phenyl-3-(5,6,7,8-tetraphenylnaphthalen-1-yl)isoquinoline
• 英文别名: 6-Chloro-1-methyl-4-phenyl-3-(5,6,7,8-tetraphenylnaphthalen-1-yl)isoquinoline
• CAS: 1648787-43-2
• 化学式: C₅₀H₃₄ClN
• 分子量: 684.28
• InChiKey: ZNTUUCHQCJWXCF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.2
• 重原子数：
  52
• 可旋转键数：
  6
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.02
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-(4-chlorophenyl)-N-methoxyethanimine 、 二苯基乙炔 在 dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer 、 copper diacetate 、 sodium acetate 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以80%的产率得到6-chloro-1-methyl-4-phenyl-3-(5,6,7,8-tetraphenylnaphthalen-1-yl)isoquinoline
  参考文献：
  名称：

  立体拥挤的多环芳烃的合成：铑（III）催化的芳基酮肟与二苯基乙炔的级联多个顺式裂解的级联氧化环化反应

  摘要：

  AbstractThe rhodium(III)‐catalyzed oxidative annulations of aryl ketoximes with diphenylacetylene by the cleavage of three CH bonds, one CO bond and the formation of four CC bonds, one CN bonds simultaneously have been developed. This protocol is scalable and compatible with various functional groups, providing an expeditious access to highly congested polycyclic aromatic/heteroaromatic hydrocarbons.magnified image

  DOI：

  10.1002/adsc.201400292

文献信息

• Synthesis of Sterically Congested Polycyclic Aromatic Hydrocarbons: Rhodium(III)-Catalyzed Cascade Oxidative Annulation of Aryl Ketoximes with Diphenylacetylene by Sequential Cleavage of Multiple CH Bonds
  作者：Bin Liu、Fang Hu、Bing-Feng Shi

  DOI：10.1002/adsc.201400292

  日期：2014.8.11

  AbstractThe rhodium(III)‐catalyzed oxidative annulations of aryl ketoximes with diphenylacetylene by the cleavage of three CH bonds, one CO bond and the formation of four CC bonds, one CN bonds simultaneously have been developed. This protocol is scalable and compatible with various functional groups, providing an expeditious access to highly congested polycyclic aromatic/heteroaromatic hydrocarbons.magnified image