diethyl 2,2'-(4,4'-thiobis(thiazole-4,2-diyl))diacetate | 1515758-19-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: diethyl 2,2'-(4,4'-thiobis(thiazole-4,2-diyl))diacetate
• CAS: 1515758-19-6
• 化学式: C₁₄H₁₆N₂O₄S₃
• 分子量: 372.49
• InChiKey: RYNRSFVMYOXTML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.96
• 重原子数：
  23.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  78.38
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  (Z)-ethyl 2-(4-oxothiazolidin-2-ylidene)acetate 在 劳森试剂 作用下， 以 甲苯 为溶剂， 以70%的产率得到diethyl 2,2'-(4,4'-thiobis(thiazole-4,2-diyl))diacetate
  参考文献：
  名称：

  Studies of the regioselective ring-opening–closing mode of functionally different thiazolidine type enaminones: en route to the synthesis of trithiaazapentalene derivatives

  摘要：

  Trithiaazapentalene derivatives were prepared by the reaction of 2-alkylidene-4-oxothiazolidines with Lawesson's reagent. They are classified as two structurally different trithiaazapentalene compounds that have different contributions of monocyclic 1,2-dithiole and 1,2,4-dithiazole structures and degrees of aromaticity of the bicyclic trithiaazapentalene system. The electron-donating ability of substituents at the C(5) position of the trithiaazapentalene system is recognized as the main cause for changes in pi-Celectron distribution. This is the first complete study of substituent effects on the structure of trithiapentalenes. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.10.088