N-cyclohexyl-2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine-2-carboxamide | 1200591-94-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-cyclohexyl-2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine-2-carboxamide
• 英文别名: N-cyclohexyl-4-methyl-2-oxo-3,5-dihydro-1H-1,5-benzodiazepine-4-carboxamide
• CAS: 1200591-94-1
• 化学式: C₁₇H₂₃N₃O₂
• 分子量: 301.389
• InChiKey: SWBBOEPFTCIFQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  70.2
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1,3-二氢-4-甲基-2H-1,5-苯并二氮杂革-2-酮 、 异氰环已烷 在 对甲苯磺酸 作用下， 以 乙腈 为溶剂， 反应 1.0h， 以90%的产率得到N-cyclohexyl-2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine-2-carboxamide
  参考文献：
  名称：

  Novel Syntheses of Tetrahydrobenzodiazepines and Dihydropyrazines via Isocyanide-Based Multicomponent Reactions of Diamines

  摘要：

  In this work, two novel isocyanide-based multicomponent reactions of 1,2-diamine compounds with diketene have been developed as efficient strategies for the synthesis of 2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine-2-carboxamides with regiochemical control and 1,6-dihydropyrazine-2,3-dicarbonitriles in good to excellent yields at ambient temperature.

  DOI：

  10.1021/cc900125a

文献信息

• Novel Syntheses of Tetrahydrobenzodiazepines and Dihydropyrazines via Isocyanide-Based Multicomponent Reactions of Diamines
  作者：Ahmad Shaabani、Ali Maleki、Fatemeh Hajishaabanha、Hamid Mofakham、Mozhdeh Seyyedhamzeh、Mojtaba Mahyari、Seik Weng Ng

  DOI：10.1021/cc900125a

  日期：2010.1.11

  In this work, two novel isocyanide-based multicomponent reactions of 1,2-diamine compounds with diketene have been developed as efficient strategies for the synthesis of 2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine-2-carboxamides with regiochemical control and 1,6-dihydropyrazine-2,3-dicarbonitriles in good to excellent yields at ambient temperature.