2-Ethyl-5-chloro-N-methyl-N-(2,2-dimethoxy)ethyl-3-benzo[b]thiophenylmethylamine | 213332-19-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 2-Ethyl-5-chloro-N-methyl-N-(2,2-dimethoxy)ethyl-3-benzo[b]thiophenylmethylamine
• 英文别名: N-[(5-chloro-2-ethyl-1-benzothiophen-3-yl)methyl]-2,2-dimethoxy-N-methylethanamine
• CAS: 213332-19-5
• 化学式: C₁₆H₂₂ClNO₂S
• 分子量: 327.875
• InChiKey: JPLMYRAMKXWYHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  49.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Ethyl-5-chloro-N-methyl-N-(2,2-dimethoxy)ethyl-3-benzo[b]thiophenylmethylamine 在 PPA 、 盐酸 作用下， 以 甲苯 、 异丙醇 为溶剂， 生成 2-Ethyl-7-chloro-3,4-dihydro-4-methylthieno[4,3,2-ef][3]benzazepine
  参考文献：
  名称：

  An Efficient Synthesis of 2-Ethyl-7-chloro-4-methylthieno[4,3,2-e,f][3]benzazepine (SK&F 106686)viaBromomethylation of 2-Ethyl-5-chlorobenzo[b]thiophene

  摘要：

  The synthesis of 2-ethyl-3-bromoethyl-5-chlorobenzo[b]thiophene (6) is described using a unique phase transfer catalyzed bromoethylation of 2-ethyl-5-chlorobenzo[b]thiophene (5). Compound 6 was converted in six steps and in 55% overall yield to the angiotension II antagonist, SK&F 106686 (1).

  DOI：

  10.1080/00397919808004456
• 作为产物：
  描述：

  2-(4-Chlorophenylthio)butyraldehyde dimethyl acetal 在 十六烷基三甲基溴化铵 PPA 、 氢溴酸 、 potassium carbonate 作用下， 以 溶剂黄146 、 甲苯 为溶剂， 反应 60.0h， 生成 2-Ethyl-5-chloro-N-methyl-N-(2,2-dimethoxy)ethyl-3-benzo[b]thiophenylmethylamine
  参考文献：
  名称：

  An Efficient Synthesis of 2-Ethyl-7-chloro-4-methylthieno[4,3,2-e,f][3]benzazepine (SK&F 106686)viaBromomethylation of 2-Ethyl-5-chlorobenzo[b]thiophene

  摘要：

  The synthesis of 2-ethyl-3-bromoethyl-5-chlorobenzo[b]thiophene (6) is described using a unique phase transfer catalyzed bromoethylation of 2-ethyl-5-chlorobenzo[b]thiophene (5). Compound 6 was converted in six steps and in 55% overall yield to the angiotension II antagonist, SK&F 106686 (1).

  DOI：

  10.1080/00397919808004456

文献信息

• An Efficient Synthesis of 2-Ethyl-7-chloro-4-methylthieno[4,3,2-e,f][3]benzazepine (SK&amp;F 106686)<i>via</i>Bromomethylation of 2-Ethyl-5-chlorobenzo[b]thiophene
  作者：L. N. Pridgen、K. Huang、R. J. Mills、S. Shilcrat、A. Tickner

  DOI：10.1080/00397919808004456

  日期：1998.9

  The synthesis of 2-ethyl-3-bromoethyl-5-chlorobenzo[b]thiophene (6) is described using a unique phase transfer catalyzed bromoethylation of 2-ethyl-5-chlorobenzo[b]thiophene (5). Compound 6 was converted in six steps and in 55% overall yield to the angiotension II antagonist, SK&F 106686 (1).