1,2-bis(benzo[b]thien-3-yl)ethanedione | 5381-27-1

• 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: 1,2-bis(benzo[b]thien-3-yl)ethanedione
• 英文别名: 3,3'-Benzo-thenil；bis-benzo[b]thiophen-3-yl-ethanedione；1,2-bis(1-benzothiophen-3-yl)ethane-1,2-dione
• CAS: 5381-27-1
• 化学式: C₁₈H₁₀O₂S₂
• 分子量: 322.408
• InChiKey: LIJDPBWPMBKRNZ-UHFFFAOYSA-N

物化性质

• 沸点：
  535.6±25.0 °C(Predicted)
• 密度：
  1.416±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  90.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,2-bis(benzo[b]thien-3-yl)ethanedione 在 iron(III) chloride 、 caesium carbonate 、 三乙胺 、 锌 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 101.25h， 生成 5,6-bis(hexyloxy)benzo[2,1-b:3,4-b']bis[1]benzothiophene
  参考文献：
  名称：

  Structure-property relationships of benzo[2,1- b :3,4- b ’] bis [1]benzothiophenes for organic field effect transistors

  摘要：

  A series of novel benzo[2,1-b:3,4-b']bis[1]-benzothiophene (BBBT) derivatives with different side-chains were synthesized and characterized. And their mobility properties were evaluated based on their active layers in OFETs devices. By means of simple thermal annealing, the devices based on BBBT-4 and BBBT-6 exhibited typical p-type FETs behavior with average hole mobilities of 0.28 and 0.124 cm(2) V-1 s(-1), respectively. Furthermore, the structure-property relationships of these semiconductors were also investigated by XRD and AFM. (C) 2018 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2018.05.064
• 作为产物：
  描述：

  苯并噻吩 在 N-溴代丁二酰亚胺(NBS) 、 正丁基锂 、 溶剂黄146 作用下， 以 乙醚 、 正己烷 、 氯仿 为溶剂， 反应 1.17h， 生成 1,2-bis(benzo[b]thien-3-yl)ethanedione
  参考文献：
  名称：

  Structure-property relationships of benzo[2,1- b :3,4- b ’] bis [1]benzothiophenes for organic field effect transistors

  摘要：

  A series of novel benzo[2,1-b:3,4-b']bis[1]-benzothiophene (BBBT) derivatives with different side-chains were synthesized and characterized. And their mobility properties were evaluated based on their active layers in OFETs devices. By means of simple thermal annealing, the devices based on BBBT-4 and BBBT-6 exhibited typical p-type FETs behavior with average hole mobilities of 0.28 and 0.124 cm(2) V-1 s(-1), respectively. Furthermore, the structure-property relationships of these semiconductors were also investigated by XRD and AFM. (C) 2018 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2018.05.064

文献信息

• Campaigne,E.; Neiss,E.S., Journal of Heterocyclic Chemistry, 1966, vol. 3, p. 46 - 50
  作者：Campaigne,E.、Neiss,E.S.

  DOI：——

  日期：——