4-(1,5,3-dithiazepinan-3-yl)phenol | 1408003-65-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-(1,5,3-dithiazepinan-3-yl)phenol
• 英文别名: 4-(1,5,3-Dithiazepan-3-yl)-phenol；4-(1,5,3-dithiazepan-3-yl)phenol
• CAS: 1408003-65-5
• 化学式: C₁₀H₁₃NOS₂
• 分子量: 227.351
• InChiKey: WLKBOFZRKYVQLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  74.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  对氨基苯酚 、 3-(tert-butyl)perhydro-1,5,3-dithiazepine 在 samarium(III) nitrate hexahydrate 作用下， 以 氯仿 为溶剂， 反应 3.5h， 以60%的产率得到4-(1,5,3-dithiazepinan-3-yl)phenol
  参考文献：
  名称：

  Effective synthesis of N-aryl-substituted 1,5,3-dithiazepinanes and 1,5,3-dithiazocinanes

  摘要：

  Selective methods were developed for the synthesis of N-aryl-1,5,3-dithiazepinanes and N-aryl-1,5,3-dithiazocinanes by transamination of N-tert-butyl-1,5,3-dithiazepinane or recyclization of 1-oxa-3,6-dithiacycloheptane and 1-oxa-3,7-dithiacyclooctane by the action of aniline derivatives in the presence of Sm(NO3)(3)center dot 6H(2)O catalyst.

  DOI：

  10.1007/s10593-012-1098-8

文献信息

• Effective synthesis of N-aryl-substituted 1,5,3-dithiazepinanes and 1,5,3-dithiazocinanes
  作者：E. B. Rakhimova、I. V. Vasil’yeva、L. M. Khalilov、A. G. Ibragimov、U. M. Dzhemilev

  DOI：10.1007/s10593-012-1098-8

  日期：2012.10

  Selective methods were developed for the synthesis of N-aryl-1,5,3-dithiazepinanes and N-aryl-1,5,3-dithiazocinanes by transamination of N-tert-butyl-1,5,3-dithiazepinane or recyclization of 1-oxa-3,6-dithiacycloheptane and 1-oxa-3,7-dithiacyclooctane by the action of aniline derivatives in the presence of Sm(NO3)(3)center dot 6H(2)O catalyst.