3-(4-chlorobenzyl)-5-(4-nitrophenyl)thiazole-2(3H)-thione | 1221719-17-0

• 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-(4-chlorobenzyl)-5-(4-nitrophenyl)thiazole-2(3H)-thione
• 英文别名: 3-(4-Chlorobenzyl)-5-(4-nitro-phenyl)thiazole-2(3h)-thione；3-[(4-chlorophenyl)methyl]-5-(4-nitrophenyl)-1,3-thiazole-2-thione
• CAS: 1221719-17-0
• 化学式: C₁₆H₁₁ClN₂O₂S₂
• mdl: MFCD25975265
• 分子量: 362.861
• InChiKey: CIKHTRXBHYGSDB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  106
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (P-硝基苯基)环氧乙烷 、 (4-chloro-benzyl)-dithiocarbamic acid; triethylamine salt 在 硝基苯 作用下， 以 异丙醇 为溶剂， 以1.7 g的产率得到3-(4-chlorobenzyl)-5-(4-nitrophenyl)thiazole-2(3H)-thione
  参考文献：
  名称：

  Synthesis of nitrophenyl-substituted 1,3-thiazoline-2-thiones by oxirane ring opening with several dithiocarbamates

  摘要：

  Thiazolo-2(3H)-thiones have been prepared by the reaction of triethylamine dithiocarbamates and 4-nitrophenyloxirane via formation of intermediate 2-hydroxy-2-(4-nitrophenyl)ethyldithiocarbamates with simultaneous dehydrogenation of the thiazolidine ring to a thiazoline. It was found that both the basicity of the starting amines and the temperature influenced the course of the reaction.

  DOI：

  10.1007/s10593-010-0536-8

文献信息

• Synthesis of nitrophenyl-substituted 1,3-thiazoline-2-thiones by oxirane ring opening with several dithiocarbamates
  作者：I. V. Kulakov、A. M. Gazaliev、O. A. Nurkenov、D. M. Turdybekov

  DOI：10.1007/s10593-010-0536-8

  日期：2010.8

  Thiazolo-2(3H)-thiones have been prepared by the reaction of triethylamine dithiocarbamates and 4-nitrophenyloxirane via formation of intermediate 2-hydroxy-2-(4-nitrophenyl)ethyldithiocarbamates with simultaneous dehydrogenation of the thiazolidine ring to a thiazoline. It was found that both the basicity of the starting amines and the temperature influenced the course of the reaction.