2-methyl-2,4-bis(4-methylphenyl)-2,3-dihydro-8-methyl-1H-1,5-benzodiazepine

• 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-methyl-2,4-bis(4-methylphenyl)-2,3-dihydro-8-methyl-1H-1,5-benzodiazepine
• 英文别名: 2,3-dihydro-2,8-dimethyl-2,4-bis(4-methylphenyl)-1H-1,5-benzodiazepine；2,8-Dimethyl-2,4-bis(4-methylphenyl)-1,3-dihydro-1,5-benzodiazepine
• 化学式: C₂₅H₂₆N₂
• 分子量: 354.495
• InChiKey: ZLIXCRJHGDJELE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 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：

  3,4-二氨基甲苯 、 4-甲苯基乙炔 在 mercuric triflate 作用下， 以 乙醇 为溶剂， 反应 3.5h， 生成 2,3-dihydro-2,7-dimethyl-2,4-bis(4-methylphenyl)-1H-1,5-benzodiazepine 、 2-methyl-2,4-bis(4-methylphenyl)-2,3-dihydro-8-methyl-1H-1,5-benzodiazepine
  参考文献：
  名称：

  Terminal alkynes as keto-methyl equivalent toward one pot synthesis of 1,5-benzodiazepine derivatives under catalysis of Hg(OTf)2

  摘要：

  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.

  DOI：

  10.1016/j.tetlet.2012.01.036

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.
• Insuasty, Braulio; Abonia, Rodrigo; Quiroga, Jairo, Journal of Heterocyclic Chemistry, 1993, vol. 30, # 1, p. 229 - 231
  作者：Insuasty, Braulio、Abonia, Rodrigo、Quiroga, Jairo、Meier, Herbert

  DOI：——

  日期：——
• One-pot multicomponent synthesis of diazepine derivatives using terminal alkynes in the presence of silica-supported superparamagnetic iron oxide nanoparticles
  作者：Ali Maleki

  DOI：10.1016/j.tetlet.2013.01.123

  日期：2013.4

  A new, efficient, one-pot multicomponent reaction for the synthesis of diazepine derivatives in excellent yields is described. The reactions of various 1,2-diamines, terminal alkynes, and an isocyanide take place in the presence of a catalytic amount of magnetically recoverable silica-supported superparamagnetic Fe3O4 nanoparticles in ethanol (as a green reaction medium) at ambient temperature. (c) 2013 Elsevier Ltd. All rights reserved.