2-[N-chloroacetyl-N-(4-chloro)benzyl]amino-2-(2-chloro-5-nitro)phenylacetic acid N-(4-ethoxy)phenyl amide | 870615-89-7

• 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: 2-[N-chloroacetyl-N-(4-chloro)benzyl]amino-2-(2-chloro-5-nitro)phenylacetic acid N-(4-ethoxy)phenyl amide
• 英文别名: 2-[(2-chloroacetyl)-[(4-chlorophenyl)methyl]azaniumyl]-2-(2-chloro-5-nitrophenyl)-N-(4-ethoxyphenyl)ethanimidate
• CAS: 870615-89-7
• 化学式: C₂₅H₂₂Cl₃N₃O₅
• 分子量: 550.826
• InChiKey: NIVSSHHRCKGXFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  105
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-[N-chloroacetyl-N-(4-chloro)benzyl]amino-2-(2-chloro-5-nitro)phenylacetic acid N-(4-ethoxy)phenyl amide 在 氢氧化钾 作用下， 以 乙醇 、 丙酮 为溶剂， 反应 14.0h， 生成 4-(4-chloro)benzyl-7-nitro-3-oxo-2,3,4,5-tetrahydrobenzo[1,4]thiazepin-5-carboxylic acid N-(4-ethoxyphenyl) 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
• 作为产物：
  描述：

  对乙氧基苯胺 在 sodium hydroxide 、 苄基三乙基氯化铵 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 26.0h， 生成 2-[N-chloroacetyl-N-(4-chloro)benzyl]amino-2-(2-chloro-5-nitro)phenylacetic acid N-(4-ethoxy)phenyl 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.