N-phenyl-1,5,3-dithiazepane | 1376771-24-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-phenyl-1,5,3-dithiazepane
• 英文别名: 3-phenyl-1,5,3-dithiazepane
• CAS: 1376771-24-2
• 化学式: C₁₀H₁₃NS₂
• 分子量: 211.352
• InChiKey: VBPVLSCGZWICTH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  13
• 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：
  53.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-phenyl-1,5,3-dithiazepane 在 二氯二茂钛 、 二氯二茂锆 、 二氯乙基铝 、 magnesium 、 potassium hydroxide 作用下， 以 四氢呋喃 、 乙醚 、 水 为溶剂， 反应 8.0h， 生成 N,N-二甲基苯胺 、 N-甲基苯胺
  参考文献：
  名称：

  First examples of the synthesis of macroaluminahetero(N,S)cycles with the participation of metallo(Ti,Zr)cene catalysts

  摘要：

  An efficient method is developed for the selective synthesis of 4-aryl-2,6,8,11-tetraethyl-1,7-dithia-4-aza-2,6,8,11-tetraaluminacycloundecanes via the reaction of 3-aryl-1,5,3-dithiazepanes with EtAlCl2 involving the participation of a two-component catalyst based on Cp2TiCl2 and Cp2ZrCl2. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2015.04.089
• 作为产物：
  描述：

  苯胺 、 3-(tert-butyl)perhydro-1,5,3-dithiazepine 在 samarium(III) nitrate hexahydrate 作用下， 以 氯仿 为溶剂， 反应 3.0h， 以74%的产率得到N-phenyl-1,5,3-dithiazepane
  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.