2-[5'-hexyl-5-(2,2'-dithienyl)]benzo[b]thiophene | 651348-84-4

• 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: 2-[5'-hexyl-5-(2,2'-dithienyl)]benzo[b]thiophene
• 英文别名: 5-(1-Benzothiophen-2-YL)-5'-hexyl-2,2'-bithiophene；2-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-1-benzothiophene
• CAS: 651348-84-4
• 化学式: C₂₂H₂₂S₃
• 分子量: 382.615
• InChiKey: IUKHOTXFWOZCNP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  84.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  苯并噻吩 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 36.5h， 生成 2-[5'-hexyl-5-(2,2'-dithienyl)]benzo[b]thiophene
  参考文献：
  名称：

  Planarized Star-Shaped Oligothiophenes with Enhanced π-Electron Delocalization

  摘要：

  [GRAPHICS]Planarized star-shaped oligothiophenes 1 have been synthesized by connecting short-chain oligothiophenes on a benzo[1,2-b:3,4-b':5,6-b"]-trithiophene central core. Their electrochemical and optical properties have been characterized by cyclic voltammetry and UV-visible spectroscopy, respectively. These results associated with theoretical calculations show the advantage of benzotrithiophene as a central core in terms of pi-electron delocalization.

  DOI：

  10.1021/ol0362764

文献信息

• Planarized Star-Shaped Oligothiophenes with Enhanced π-Electron Delocalization
  作者：Yohann Nicolas、Philippe Blanchard、Eric Levillain、Magali Allain、Nicolas Mercier、Jean Roncali

  DOI：10.1021/ol0362764

  日期：2004.1.1

  [GRAPHICS]Planarized star-shaped oligothiophenes 1 have been synthesized by connecting short-chain oligothiophenes on a benzo[1,2-b:3,4-b':5,6-b"]-trithiophene central core. Their electrochemical and optical properties have been characterized by cyclic voltammetry and UV-visible spectroscopy, respectively. These results associated with theoretical calculations show the advantage of benzotrithiophene as a central core in terms of pi-electron delocalization.