7-nitro-4-(4-nitro)benzyl-3-oxo-2,3,4,5-tetrahydrobenzo[1,4]thiazepin-5-carboxylic acid N-cyclohexyl amide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫氮卓类
• 英文名称: 7-nitro-4-(4-nitro)benzyl-3-oxo-2,3,4,5-tetrahydrobenzo[1,4]thiazepin-5-carboxylic acid N-cyclohexyl amide
• 英文别名: N-cyclohexyl-7-nitro-4-[(4-nitrophenyl)methyl]-3-oxo-5H-1,4-benzothiazepine-5-carboxamide
• 化学式: C₂₃H₂₄N₄O₆S
• 分子量: 484.533
• InChiKey: BUMQEACYXIEKRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  166
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-硝基苄胺 在 氢氧化钾 作用下， 以 甲醇 、 乙醇 、 丙酮 为溶剂， 反应 38.0h， 生成 7-nitro-4-(4-nitro)benzyl-3-oxo-2,3,4,5-tetrahydrobenzo[1,4]thiazepin-5-carboxylic acid N-cyclohexyl amide
  参考文献：
  名称：

  Studies on isocyanides. A facile synthesis of 4,5-dihydro-1,4-benzothiazepin-3(2H)-ones via post-condensation modifications of the Ugi reaction

  摘要：

  A series of 4,5-dihydro-1,4-benzothiazepin-3(2H)-ones 9 was prepared via Ugi 4-CC, S-N aliph, and S-N arom. This procedure, which resembles the well-known Hulme's and Zhu's protocols, allows a facile access to the above heterocyclic system. Further transformations of the cyclized products appear to be feasible. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.09.071

文献信息

• Studies on isocyanides. A facile synthesis of 4,5-dihydro-1,4-benzothiazepin-3(2H)-ones via post-condensation modifications of the Ugi reaction
  作者：Ana G. Neo、Carlos F. Marcos、Stefano Marcaccini、Roberto Pepino

  DOI：10.1016/j.tetlet.2005.09.071

  日期：2005.11

  A series of 4,5-dihydro-1,4-benzothiazepin-3(2H)-ones 9 was prepared via Ugi 4-CC, S-N aliph, and S-N arom. This procedure, which resembles the well-known Hulme's and Zhu's protocols, allows a facile access to the above heterocyclic system. Further transformations of the cyclized products appear to be feasible. (c) 2005 Elsevier Ltd. All rights reserved.