4,8-bis(4-decylphenylethynyl)benzo[1,2-b:4,5-b']dithiophene | 1246263-85-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 4,8-bis(4-decylphenylethynyl)benzo[1,2-b:4,5-b']dithiophene
• 英文别名: 4,8-Bis[2-(4-decylphenyl)ethynyl]thieno[2,3-f][1]benzothiole；4,8-bis[2-(4-decylphenyl)ethynyl]thieno[2,3-f][1]benzothiole
• CAS: 1246263-85-3
• 化学式: C₄₆H₅₄S₂
• 分子量: 671.067
• InChiKey: JIRLYEGOXZBJNR-UHFFFAOYSA-N

物化性质

• 沸点：
  775.3±60.0 °C(predicted)
• 密度：
  1.10±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  18.3
• 重原子数：
  48
• 可旋转键数：
  22
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  56.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,8-bis(4-decylphenylethynyl)benzo[1,2-b:4,5-b']dithiophene 在 正丁基锂 、 四溴化碳 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 1.25h， 以75%的产率得到2,6-dibromo-4,8-bis(4-decylphenylethynyl)benzo-[1,2-b:4,5-b']dithiophene
  参考文献：
  名称：

  Synthesis and Electronic Properties of Semiconducting Polymers Containing Benzodithiophene with Alkyl Phenylethynyl Substituents

  摘要：

  Semiconducting polymers containing benzodithiophene with decyl phenylethynyl and hexadecyl phenylethynyl substituents have been synthesized by Sidle coupling polymerization. The optoelectronic properties of the synthesized polymers have been investigated. The synthesized polymers were tested in bulk heterojunction solar cells.

  DOI：

  10.1021/ma101709h
• 作为产物：
  描述：

  4-溴正癸基苯 在 copper(l) iodide 、 正丁基锂 、 trans-bis(triphenylphosphine)palladium dichloride 、 三乙胺 、 potassium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 、 二氯甲烷 为溶剂， 反应 4.5h， 生成 4,8-bis(4-decylphenylethynyl)benzo[1,2-b:4,5-b']dithiophene
  参考文献：
  名称：

  Synthesis and Electronic Properties of Semiconducting Polymers Containing Benzodithiophene with Alkyl Phenylethynyl Substituents

  摘要：

  Semiconducting polymers containing benzodithiophene with decyl phenylethynyl and hexadecyl phenylethynyl substituents have been synthesized by Sidle coupling polymerization. The optoelectronic properties of the synthesized polymers have been investigated. The synthesized polymers were tested in bulk heterojunction solar cells.

  DOI：

  10.1021/ma101709h

文献信息

• Synthesis and Electronic Properties of Semiconducting Polymers Containing Benzodithiophene with Alkyl Phenylethynyl Substituents
  作者：Prakash Sista、Hien Nguyen、John W. Murphy、Jing Hao、Daniel K. Dei、Kumaranand Palaniappan、John Servello、Ruvini S. Kularatne、Bruce E. Gnade、Bofei Xue、Paul C. Dastoor、Michael C. Biewer、Mihaela C. Stefan

  DOI：10.1021/ma101709h

  日期：2010.10.12

  Semiconducting polymers containing benzodithiophene with decyl phenylethynyl and hexadecyl phenylethynyl substituents have been synthesized by Sidle coupling polymerization. The optoelectronic properties of the synthesized polymers have been investigated. The synthesized polymers were tested in bulk heterojunction solar cells.