3-(3-nitrophenyl)-1,5,3-dithiazocane | 1376771-56-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(3-nitrophenyl)-1,5,3-dithiazocane
• 英文别名: 3-(3-Nitrophenyl)-1,5,3-dithiazocane
• CAS: 1376771-56-0
• 化学式: C₁₁H₁₄N₂O₂S₂
• 分子量: 270.376
• InChiKey: BVEFKEPHDYOEBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 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：
  99.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-tert-butyl-1,5,3-dithiazocane 、 间硝基苯胺 在 samarium(III) nitrate hexahydrate 作用下， 以 氯仿 为溶剂， 反应 3.0h， 生成 3-(3-nitrophenyl)-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 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.