4-(5'-hexyl-2,2'-bithiophen-5-yl)-2-methylbut-3-yn-2-ol | 1449566-95-3

• 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: 4-(5'-hexyl-2,2'-bithiophen-5-yl)-2-methylbut-3-yn-2-ol
• CAS: 1449566-95-3
• 化学式: C₁₉H₂₄OS₂
• 分子量: 332.531
• InChiKey: QFFBPDHVZNVLSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.72
• 重原子数：
  22.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  20.23
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-(5'-hexyl-2,2'-bithiophen-5-yl)-2-methylbut-3-yn-2-ol 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 copper(l) iodide 、 二异丙胺 、 potassium hydroxide 作用下， 以 异丙醇 、 甲苯 为溶剂， 反应 24.5h， 生成 5-(anthracen-2-ylethynyl)-5'-hexyl-2,2'-bithiophene
  参考文献：
  名称：

  Small asymmetric anthracene–thiophene compounds as organic thin-film transistors

  摘要：

  Anthracene and thiophene compounds are promising materials for OTFTs. We report here, the synthesis, as well as the physical, thermal, and optoelectronic properties of alkyl-substituted asymmetric anthracene-thiophene compounds connected by a bridged triple bond. The target molecules were synthesized using 2-bromoanthracene as the starting material, and the proceeding reactions included alkylation, bromination, and the Sonogashira coupling reaction. The synthesized compounds were both thermally and electrochemically stable. Among the synthesized compounds, HTEA (7a) and DTEA (7b) showed mobility and on/off ratio values of 1.3x10(-1) cm(2)/V s, 2.6 x 10(6) and 2.0x10(-2) cm(2)/V s, 1.0x10(6), respectively. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.07.041
• 作为产物：
  描述：

  溴己烷 在 bis-triphenylphosphine-palladium(II) chloride 、 N-溴代丁二酰亚胺(NBS) 、 copper(l) iodide 、 正丁基锂 、 三乙胺 作用下， 以 四氢呋喃 、 正己烷 、 氯仿 、 溶剂黄146 为溶剂， 反应 27.0h， 生成 4-(5'-hexyl-2,2'-bithiophen-5-yl)-2-methylbut-3-yn-2-ol
  参考文献：
  名称：

  Small asymmetric anthracene–thiophene compounds as organic thin-film transistors

  摘要：

  Anthracene and thiophene compounds are promising materials for OTFTs. We report here, the synthesis, as well as the physical, thermal, and optoelectronic properties of alkyl-substituted asymmetric anthracene-thiophene compounds connected by a bridged triple bond. The target molecules were synthesized using 2-bromoanthracene as the starting material, and the proceeding reactions included alkylation, bromination, and the Sonogashira coupling reaction. The synthesized compounds were both thermally and electrochemically stable. Among the synthesized compounds, HTEA (7a) and DTEA (7b) showed mobility and on/off ratio values of 1.3x10(-1) cm(2)/V s, 2.6 x 10(6) and 2.0x10(-2) cm(2)/V s, 1.0x10(6), respectively. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.07.041