8-chloro-5-methyl-2-p-tolyl-2,3,4,5-tetrahydro-1H-benzo[c]azepine | 1006685-20-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 8-chloro-5-methyl-2-p-tolyl-2,3,4,5-tetrahydro-1H-benzo[c]azepine
• 英文别名: 8-Chloro-5-methyl-2-(4-methylphenyl)-1,3,4,5-tetrahydro-2-benzazepine
• CAS: 1006685-20-6
• 化学式: C₁₈H₂₀ClN
• 分子量: 285.817
• InChiKey: ODOXXKKXUPCLOD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  5-Chloro-2-(prop-1-en-2-yl)benzaldehyde 、 一氧化碳 、 乙烷,三氯氟- 在 [(TMEDA)Rh(CO)2]⁺[RhCl₂(CO)2]^- 氢气 作用下， 以 甲苯 为溶剂， 120.0 ℃ 、8.27 MPa 条件下， 反应 48.0h， 以94%的产率得到8-chloro-5-methyl-2-p-tolyl-2,3,4,5-tetrahydro-1H-benzo[c]azepine
  参考文献：
  名称：

  An Efficient Three-Component One-Pot Approach to the Synthesis of 2,3,4,5-Tetrahydro-1H-2-benzazepines by Means of Rhodium-Catalyzed Hydroaminomethylation

  摘要：

  We have developed a novel and efficient three-component one-pot, catalytic approach for the synthesis of 2,3,4,5-tetrahydro-1H-2-benzazepines, using a rhodium catalyst that does not require phosphine. The isolated yields are excellent and the protocol tolerates anilines of diverse basicity.

  DOI：

  10.1021/ol702933g

文献信息

• An Efficient Three-Component One-Pot Approach to the Synthesis of 2,3,4,5-Tetrahydro-1<i>H</i>-2-benzazepines by Means of Rhodium-Catalyzed Hydroaminomethylation
  作者：Tiago O. Vieira、Howard Alper

  DOI：10.1021/ol702933g

  日期：2008.2.1

  We have developed a novel and efficient three-component one-pot, catalytic approach for the synthesis of 2,3,4,5-tetrahydro-1H-2-benzazepines, using a rhodium catalyst that does not require phosphine. The isolated yields are excellent and the protocol tolerates anilines of diverse basicity.