1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[e]indole-1-carbonitrile | 1465202-34-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[e]indole-1-carbonitrile
• 英文别名: 1,3-Dimethyl-2-oxobenzo[e]indole-1-carbonitrile；1,3-dimethyl-2-oxobenzo[e]indole-1-carbonitrile
• CAS: 1465202-34-9
• 化学式: C₁₅H₁₂N₂O
• 分子量: 236.273
• InChiKey: WCHPAMPSPIJBBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-甲基-2-萘胺 在 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 、 copper(l) chloride 、 sodium t-butanolate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.25h， 生成 1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[e]indole-1-carbonitrile
  参考文献：
  名称：

  CuCl2-catalyzed regioselective dehydrogenative C–H activation: Synthesis of coumarin, quinolone, and naphthalene based pyrrolone derivatives

  摘要：

  A CuCl2-catalyzed dehydrogenative C-H activation leading to regioselective synthesis of coumarin, quinolone, and naphthalene fused heterocycles is reported. The reaction has been carried out in one pot under open atmosphere and it offers good to excellent yields of the cyclized products. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.08.058

文献信息

• CuCl2-catalyzed regioselective dehydrogenative C–H activation: Synthesis of coumarin, quinolone, and naphthalene based pyrrolone derivatives
  作者：B. Roy、Somjit Hazra、Biplab Mondal、K.C. Majumdar

  DOI：10.1016/j.tetlet.2013.08.058

  日期：2013.11

  A CuCl2-catalyzed dehydrogenative C-H activation leading to regioselective synthesis of coumarin, quinolone, and naphthalene fused heterocycles is reported. The reaction has been carried out in one pot under open atmosphere and it offers good to excellent yields of the cyclized products. (C) 2013 Elsevier Ltd. All rights reserved.