3-phenyl-1,5,3-dithiazocane | 1376771-42-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-phenyl-1,5,3-dithiazocane
• 英文别名: 3-Phenyl-1,5,3-dithiazocane
• CAS: 1376771-42-4
• 化学式: C₁₁H₁₅NS₂
• 分子量: 225.379
• InChiKey: DNDZCBTWKFNPAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  53.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-tert-butyl-1,5,3-dithiazocane 、 苯胺 在 samarium(III) nitrate hexahydrate 作用下， 以 氯仿 为溶剂， 反应 3.0h， 生成 3-phenyl-1,5,3-dithiazocane
  参考文献：
  名称：

  Synthesis of N-aryl-1,5,3-dithiazepanes and N-aryl-1,5,3-dithiazocanes in the presence of samarium- and cobalt-containing catalysts

  摘要：

  Efficient procedures were developed for the synthesis of N-aryl-1,5,3-dithiazepanes and N-aryl-1,5,3-dithiazocanes by cyclocondensation of anilines with formaldehyde and alpha,omega-dithiols (etane-1,2-dithiol and propane-1,3-dithiol), as well as by transamination of N-tert-butyl-1,5,3-dithiazepane or N-tert-butyl-1,5,3-dithiazocane with aromatic amines in the presence of samarium and cobalt complexes.

  DOI：

  10.1134/s1070428012040215

文献信息

• Synthesis of Dithiaza- and Dioxadithiazacycloalkanes by Cyclothiomethylation of Arylamines with Formaldehyde and α,ω-Dithiols
  作者：Guzel R. Khabibullina、Ekaterina S. Fedotova、Ekaterina S. Meshcheryakova、Tatyana M. Buslaeva、Vnira R. Akhmetova、Askhat G. Ibragimov

  DOI：10.1007/s10593-016-1975-7

  日期：2016.10

  New derivatives of 1,5,3-dithiazepanes and macroheterocycles were synthesized by a three-component cyclothiomethylation of arylamines with formaldehyde and alpha,omega-dithiols. The sorption properties of 3-phenyl-1,5,3-dithiazepane and 6-phenyl-1,11-dioxa-4,8-dithia-6-azacyclotridecane applicable for the extraction of Ag(I) and Pd(II) ions from nitric acid solutions at room temperature were studied by a static method.
• Synthesis of N-aryl-1,5,3-dithiazepanes and N-aryl-1,5,3-dithiazocanes in the presence of samarium- and cobalt-containing catalysts
  作者：N. N. Murzakova、K. I. Prokof’ev、T. V. Tyumkina、A. G. Ibragimov

  DOI：10.1134/s1070428012040215

  日期：2012.4

  Efficient procedures were developed for the synthesis of N-aryl-1,5,3-dithiazepanes and N-aryl-1,5,3-dithiazocanes by cyclocondensation of anilines with formaldehyde and alpha,omega-dithiols (etane-1,2-dithiol and propane-1,3-dithiol), as well as by transamination of N-tert-butyl-1,5,3-dithiazepane or N-tert-butyl-1,5,3-dithiazocane with aromatic amines in the presence of samarium and cobalt complexes.