3,3',4'',3''',4'''',3'''''-Hexakis-methylsulfanyl-[2,2';5',2'';5'',2''';5''',2'''';5'''',2''''']sexithiophene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 英文名称: 3,3',4'',3''',4'''',3'''''-Hexakis-methylsulfanyl-[2,2';5',2'';5'',2''';5''',2'''';5'''',2''''']sexithiophene
• 英文别名: 3-Methylsulfanyl-2-[3-methylsulfanyl-5-[4-methylsulfanyl-5-(3-methylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-[4-methylsulfanyl-5-(3-methylsulfanylthiophen-2-yl)thiophen-2-yl]thiophene
• 化学式: C₃₀H₂₆S₁₂
• 分子量: 771.328
• InChiKey: OTZXZPQSNKJFFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.6
• 重原子数：
  42
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  321
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  (3,3'-Bis-methylsulfanyl-[2,2']bithiophenyl-5-yl)-trimethyl-stannane 在 tris(dibenzylideneacetone)dipalladium (0) 、 三苯胂 、 2,5'-dibromo-3,3'-bis(methylsulfanyl)-2,2'-bithiophene 作用下， 以 甲苯 为溶剂， 反应 71.0h， 以30%的产率得到3,3',4'',3''',4'''',3'''''-Hexakis-methylsulfanyl-[2,2';5',2'';5'',2''';5''',2'''';5'''',2''''']sexithiophene
  参考文献：
  名称：

  Improved synthesis of functionalized sexithiophenes

  摘要：

  Yields of functionalized sexithiophenes through the Stille reaction are greatly ameliorated using in situ generated Pd(AsPh3)(4) as the catalyst. The regiospecific synthesis of a new head-to-head/tail-to-tail hexa(methylsulfanyl)sexithiophene is reported. An sexithiophenes were distilled under high vacuum to reach the degree of purity required for use in electronic applications. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00592-9

文献信息

• Improved synthesis of functionalized sexithiophenes
  作者：Giovanna Barbarella、Massimo Zambianchi、Giovanna Sotgiu、Alessandro Bongini

  DOI：10.1016/s0040-4020(97)00592-9

  日期：1997.7

  Yields of functionalized sexithiophenes through the Stille reaction are greatly ameliorated using in situ generated Pd(AsPh3)(4) as the catalyst. The regiospecific synthesis of a new head-to-head/tail-to-tail hexa(methylsulfanyl)sexithiophene is reported. An sexithiophenes were distilled under high vacuum to reach the degree of purity required for use in electronic applications. (C) 1997 Elsevier Science Ltd.