2,6-bis(3-methylsulfinylbenzo[b]thiophene)-4,8-bis(hexyl)-benzo[1,2-b;4,5-b′]dithiophene | 1536530-08-1

• 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: 2,6-bis(3-methylsulfinylbenzo[b]thiophene)-4,8-bis(hexyl)-benzo[1,2-b;4,5-b′]dithiophene
• CAS: 1536530-08-1
• 化学式: C₄₀H₄₂O₂S₆
• 分子量: 747.168
• InChiKey: HXAKNDKOEIETMG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.6
• 重原子数：
  48.0
• 可旋转键数：
  14.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  34.14
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2,6-bis(3-methylsulfinylbenzo[b]thiophene)-4,8-bis(hexyl)-benzo[1,2-b;4,5-b′]dithiophene 在 Eaton′s Reagent 、 吡啶 作用下， 反应 96.0h， 以40%的产率得到2,18-Dihexyl-5,13,16,21,29,32-hexathianonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7,9,11,17,20(31),22(30),23,25,27-tridecaene
  参考文献：
  名称：

  Syntheses and Properties of Nine-Ring-Fused Linear Thienoacenes

  摘要：

  pi-Extended nine-ring-fused linear thienoacenes 1a-c with internal thieno[3,2-b;4,5-b']dithiophene substructures were synthesized. Their optical and electrochemical properties were investigated. Thin-film transistor characteristics showed all compounds displayed high device reproducibility and nearly no dependence on substrate temperatures. The highest performance was observed for 1c-based devices with mobility up to 1.0 cm(2)/Vs and current on/off ratio of 10(7), whereas the maximum mobility was 0.5 cm(2)/Vs for 1b and 0.011 cm(2)/Vs for 1a.

  DOI：

  10.1021/jo4025607
• 作为产物：
  描述：

  3-溴苯并噻吩 在 N-溴代丁二酰亚胺(NBS) 、 四(三苯基膦)钯 、 正丁基锂 、 溶剂黄146 、 间氯过氧苯甲酸 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 1.0h， 生成 2,6-bis(3-methylsulfinylbenzo[b]thiophene)-4,8-bis(hexyl)-benzo[1,2-b;4,5-b′]dithiophene
  参考文献：
  名称：

  Syntheses and Properties of Nine-Ring-Fused Linear Thienoacenes

  摘要：

  pi-Extended nine-ring-fused linear thienoacenes 1a-c with internal thieno[3,2-b;4,5-b']dithiophene substructures were synthesized. Their optical and electrochemical properties were investigated. Thin-film transistor characteristics showed all compounds displayed high device reproducibility and nearly no dependence on substrate temperatures. The highest performance was observed for 1c-based devices with mobility up to 1.0 cm(2)/Vs and current on/off ratio of 10(7), whereas the maximum mobility was 0.5 cm(2)/Vs for 1b and 0.011 cm(2)/Vs for 1a.

  DOI：

  10.1021/jo4025607