2,4-dihexyl-2-methyl-2,3-dihydro-1H-benzo[b][1,4]diazepine | 1369787-53-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 2,4-dihexyl-2-methyl-2,3-dihydro-1H-benzo[b][1,4]diazepine
• 英文别名: 2-methyl-2,4-dihexyl-2,3-dihydro-1H-1,5-benzodiazepine；2,4-Dihexyl-2-methyl-1,3-dihydro-1,5-benzodiazepine；2,4-dihexyl-2-methyl-1,3-dihydro-1,5-benzodiazepine
• CAS: 1369787-53-0
• 化学式: C₂₂H₃₆N₂
• 分子量: 328.541
• InChiKey: DGOOQRAYYFATKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  24
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  24.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-辛炔 、 邻苯二胺 在 (2-biphenyl)Cy₂PAuNTf₂ 作用下， 以 氯仿 为溶剂， 反应 10.0h， 以48%的产率得到2,4-dihexyl-2-methyl-2,3-dihydro-1H-benzo[b][1,4]diazepine
  参考文献：
  名称：

  Gold(I)-Catalyzed Synthesis of 1,5-Benzodiazepines Directly from o-Phenylenediamines and Alkynes

  摘要：

  A unique gold(I)-catalyzed highly atom-economic synthesis of 1,5-benzodiazepines directly from o-phenylenediamines and alkynes has been achieved for the first time.

  DOI：

  10.1021/jo300543n

文献信息

• Terminal alkynes as keto-methyl equivalent toward one pot synthesis of 1,5-benzodiazepine derivatives under catalysis of Hg(OTf)2
  作者：Gourhari Maiti、Utpal Kayal、Rajiv Karmakar、Rudraksha N. Bhattacharya

  DOI：10.1016/j.tetlet.2012.01.036

  日期：2012.3

  Mercuric triflate catalyzes the reaction between 1,2-diaminobenzene and terminal alkynes to afford 2,4-disubstituted 2-methyl-2,3-dihydro-1H-benzo[b][1,4]diazepine in an excellent yield. The terminal alkynes function as a source of keto-methyl equivalent. (C) 2012 Elsevier Ltd. All rights reserved.
• Gold(I)-Catalyzed Synthesis of 1,5-Benzodiazepines Directly from <i>o</i>-Phenylenediamines and Alkynes
  作者：Jianqiang Qian、Yunkui Liu、Jianhai Cui、Zhenyuan Xu

  DOI：10.1021/jo300543n

  日期：2012.5.4

  A unique gold(I)-catalyzed highly atom-economic synthesis of 1,5-benzodiazepines directly from o-phenylenediamines and alkynes has been achieved for the first time.