5-<2-(2,5-dichlorophenyl)-2-oxoethyl>-2-thioxo-4-oxo-1,3-thiazolidine

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-<2-(2,5-dichlorophenyl)-2-oxoethyl>-2-thioxo-4-oxo-1,3-thiazolidine
• 英文别名: 5-[2-(2,5-Dichlorophenyl)-2-oxoethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
• 化学式: C₁₁H₇Cl₂NO₂S₂
• 分子量: 320.22
• InChiKey: CMSQQRAYPGQTCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  104
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-<2-(2,5-dichlorophenyl)-2-oxoethyl>-2-thioxo-4-oxo-1,3-thiazolidine 在 溴 作用下， 以 溶剂黄146 为溶剂， 反应 0.17h， 以90%的产率得到(E)-5-(2,5-dichlorobenzoylmethylene)-2,4-dioxo-1,3-thiazolidine
  参考文献：
  名称：

  The (E)/(Z)-ratio in the reaction of 5-(2-aryl-2-oxoethyl)-2-thioxo-4-oxo-1,3-thiazolidines with bromine

  摘要：

  3-Aryl-, 3-benzyl-, and 3 H-5-(2-aryl-2-oxoethyl)-2-thioxo-4-oxo-1,3-thiazolidines 3a-h react with bromine in acetic acid solution to give mixtures of the respective 5-aroylmethylene (E) and (Z) diastereomeric derivatives 5 and 6. They contain more than 85% of the (E)-diastereomers along with some pure isomers. The intermediacy of the 5-bromo derivatives 4 is proven and a plausible route of the reaction is presented. Structures of compounds 3-6 are evidenced by analytical and spectral data.

  DOI：

  10.1007/bf00813206
• 作为产物：
  描述：

  二硫代氨基甲酸铵 、 3-(2,5-dichlorobenzoyl)-acrylic acid 以 甲醇 为溶剂， 反应 1.0h， 以85%的产率得到5-<2-(2,5-dichlorophenyl)-2-oxoethyl>-2-thioxo-4-oxo-1,3-thiazolidine
  参考文献：
  名称：

  The (E)/(Z)-ratio in the reaction of 5-(2-aryl-2-oxoethyl)-2-thioxo-4-oxo-1,3-thiazolidines with bromine

  摘要：

  3-Aryl-, 3-benzyl-, and 3 H-5-(2-aryl-2-oxoethyl)-2-thioxo-4-oxo-1,3-thiazolidines 3a-h react with bromine in acetic acid solution to give mixtures of the respective 5-aroylmethylene (E) and (Z) diastereomeric derivatives 5 and 6. They contain more than 85% of the (E)-diastereomers along with some pure isomers. The intermediacy of the 5-bromo derivatives 4 is proven and a plausible route of the reaction is presented. Structures of compounds 3-6 are evidenced by analytical and spectral data.

  DOI：

  10.1007/bf00813206

文献信息

• The (E)/(Z)-ratio in the reaction of 5-(2-aryl-2-oxoethyl)-2-thioxo-4-oxo-1,3-thiazolidines with bromine
  作者：M. T. Omar、K. A. Kandeel、A. S. A. Youssef

  DOI：10.1007/bf00813206

  日期：1995.4

  3-Aryl-, 3-benzyl-, and 3 H-5-(2-aryl-2-oxoethyl)-2-thioxo-4-oxo-1,3-thiazolidines 3a-h react with bromine in acetic acid solution to give mixtures of the respective 5-aroylmethylene (E) and (Z) diastereomeric derivatives 5 and 6. They contain more than 85% of the (E)-diastereomers along with some pure isomers. The intermediacy of the 5-bromo derivatives 4 is proven and a plausible route of the reaction is presented. Structures of compounds 3-6 are evidenced by analytical and spectral data.