4,4',5,5'-tetraphenyl-2,2'-dithienyl-3,3'-dithiol | 192433-86-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 4,4',5,5'-tetraphenyl-2,2'-dithienyl-3,3'-dithiol
• 英文别名: 2-(4,5-diphenyl-3-sulfanylthiophen-2-yl)-4,5-diphenylthiophene-3-thiol
• CAS: 192433-86-6
• 化学式: C₃₂H₂₂S₄
• 分子量: 534.791
• InChiKey: WPHJNTMKARAXBI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.72
• 重原子数：
  36.0
• 可旋转键数：
  5.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  氯化苄 、 4,4',5,5'-tetraphenyl-2,2'-dithienyl-3,3'-dithiol 在 sodium hydroxide 作用下， 以69%的产率得到3,3'-bis(benzylthio)-4,4',5,5'-tetraphenyl-2,2'-dithienyl
  参考文献：
  名称：

  1,2-Dithiins and precursors, XVII: Synthesis and properties of thieno anellated 1,2-dithiins, structural influence on colour

  摘要：

  Various thieno[3,2-c] anellated (59, 26) and dithieno[3,2-c:2,3-e] anellated I,2-dithiins (32 a-c, 45) were obtained starting from appropriate thiophene precursors. The absorption maxima covered the range from 430 to 467 nm indicating olefinic rather than aromatic character of the anellating thiophene units. Access to the isomeric thieno[2,3-c] anellated series failed due to competing reactions in the final stage, e.g. by the formation of the 12-membered cyclic bis-disulfide 53. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00439-0
• 作为产物：
  描述：

  2,3-diphenylthiophene 在 sodium tetrahydroborate 、 正丁基锂 、 溴 、 copper dichloride 作用下， 以 乙醚 、 氯仿 、 水 、 苯 为溶剂， 反应 8.0h， 生成 4,4',5,5'-tetraphenyl-2,2'-dithienyl-3,3'-dithiol
  参考文献：
  名称：

  1,2-Dithiins and precursors, XVII: Synthesis and properties of thieno anellated 1,2-dithiins, structural influence on colour

  摘要：

  Various thieno[3,2-c] anellated (59, 26) and dithieno[3,2-c:2,3-e] anellated I,2-dithiins (32 a-c, 45) were obtained starting from appropriate thiophene precursors. The absorption maxima covered the range from 430 to 467 nm indicating olefinic rather than aromatic character of the anellating thiophene units. Access to the isomeric thieno[2,3-c] anellated series failed due to competing reactions in the final stage, e.g. by the formation of the 12-membered cyclic bis-disulfide 53. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00439-0