4-(1,5,3-dithiazocan-3-yl)benzenethiol | 1415327-83-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯硫酚类
• 英文名称: 4-(1,5,3-dithiazocan-3-yl)benzenethiol
• 英文别名: 4-(1,5,3-Dithiazocan-3-yl)benzenethiol
• CAS: 1415327-83-1
• 化学式: C₁₁H₁₅NS₃
• 分子量: 257.445
• InChiKey: NXZFKFXAPPAGOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  54.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-oxa-3,7-dithiacyclooctane 、 4-氨基苯硫酚 在 samarium(III) nitrate hexahydrate 作用下， 以 氯仿 为溶剂， 反应 3.5h， 以83%的产率得到4-(1,5,3-dithiazocan-3-yl)benzenethiol
  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

• Catalytic Synthesis of S,N-Macroheterocycles Based on Isomeric Aminobenzenethiols
  作者：E. B. Rakhimova、A. G. Ibragimov

  DOI：10.1134/s1070428022030253

  日期：2022.3

  Abstract A one-pot procedure has been developed for the synthesis of S,N-macroheterocycles by cyclo­thiomethylation of isomeric aminobenzenethiols with formaldehyde and α,ω-alkanedithiols in the presence of Sm(NO3)3·6H2O as catalyst.

  摘要 在Sm(NO 3 ) 3 ·6H 2 O 作为催化剂的情况下，通过用甲醛和α,ω-链烷二硫醇对异构氨基苯硫醇进行环硫甲基化合成S,N-大杂环化合物的一锅法已被开发出来。
• Catalytic Synthesis of N-Aryl-1,5,3-dithiazocanes
  作者：E. B. Rakhimova、I. V. Ozden、A. G. Ibragimov

  DOI：10.1134/s107042802003029x

  日期：2020.3

  An efficient procedure has been developed for the synthesis of N-aryl-1,5,3-dithiazocanes and 1,1 '-biphenylenebis(1,5,3-dithiazocanes) by heterocyclization of N-1,N-1,N-7,N-7-tetramethyl-2,6-dithiaheptane-1,7-diamine with aromatic amines or 4,4 '-methylene(or sulfonyl)dianiline in the presence of Sm(NO3)(3)center dot 6H(2)O as catalyst.
• 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.