2-butyloctanoic acid 1-{5'''''-[1-(2-butyloctanoyloxy)propyl]-[2,2';5',2'';5'',2''';5''',2'''';5'''',2''''']sexithiophen-5-yl}propyl ester

• 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-butyloctanoic acid 1-{5'''''-[1-(2-butyloctanoyloxy)propyl]-[2,2';5',2'';5'',2''';5''',2'''';5'''',2''''']sexithiophen-5-yl}propyl ester
• 英文别名: 1-[5-[5-[5-[5-[5-[5-[1-(2-Butyloctanoyloxy)propyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl 2-butyloctanoate；1-[5-[5-[5-[5-[5-[5-[1-(2-butyloctanoyloxy)propyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl 2-butyloctanoate
• 化学式: C₅₄H₇₀O₄S₆
• 分子量: 975.543
• InChiKey: ZFTBWVKMTIXHIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.8
• 重原子数：
  64
• 可旋转键数：
  31
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  222
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2,2'-联二噻吩 在 吡啶 、 4-二甲氨基吡啶 、 bis-triphenylphosphine-palladium(II) chloride 、 N-溴代丁二酰亚胺(NBS) 、 lithium aluminium tetrahydride 、 四氯化锡 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 2-butyloctanoic acid 1-{5'''''-[1-(2-butyloctanoyloxy)propyl]-[2,2';5',2'';5'',2''';5''',2'''';5'''',2''''']sexithiophen-5-yl}propyl ester
  参考文献：
  名称：

  Organic Thin Film Transistors from a Soluble Oligothiophene Derivative Containing Thermally Removable Solubilizing Groups

  摘要：

  A symmetrical alpha,omega-substituted sexithiophene derivative containing thermally removable branched ester solubilizing groups has been prepared. These oligomers can be solution cast into thin films and then thermolyzed to remove the solubilizing group, leaving short pendant alkene groups on the oligomer. Device testing of thin film transistors shows an increase in hole mobility from 1 x 10-5 cm2/(V s) with on/off ratios of approximately 100 before thermolysis to 5 x 10-2 cm2/(V s) with on/off ratios >105 after thermolysis. This method offers an attractive route to easily processed and highly performing thiophene oligomers.

  DOI：

  10.1021/ja039529x

文献信息

• Organic Thin Film Transistors from a Soluble Oligothiophene Derivative Containing Thermally Removable Solubilizing Groups
  作者：Amanda R. Murphy、Jean M. J. Fréchet、Paul Chang、Josephine Lee、Vivek Subramanian

  DOI：10.1021/ja039529x

  日期：2004.2.1

  A symmetrical alpha,omega-substituted sexithiophene derivative containing thermally removable branched ester solubilizing groups has been prepared. These oligomers can be solution cast into thin films and then thermolyzed to remove the solubilizing group, leaving short pendant alkene groups on the oligomer. Device testing of thin film transistors shows an increase in hole mobility from 1 x 10-5 cm2/(V s) with on/off ratios of approximately 100 before thermolysis to 5 x 10-2 cm2/(V s) with on/off ratios >105 after thermolysis. This method offers an attractive route to easily processed and highly performing thiophene oligomers.