2,8-dibromo-5-(1-octylnonyl)benzo[1,2-b:3,4-b':5,6-d'']trithiophene | 1320164-70-2

• 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: 2,8-dibromo-5-(1-octylnonyl)benzo[1,2-b:3,4-b':5,6-d'']trithiophene
• 英文别名: 4,14-Dibromo-9-heptadecan-9-yl-3,8,15-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,13-hexaene；4,14-dibromo-9-heptadecan-9-yl-3,8,15-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,13-hexaene
• CAS: 1320164-70-2
• 化学式: C₂₉H₃₈Br₂S₃
• 分子量: 642.627
• InChiKey: LXNOQHUPSIIXMN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.4
• 重原子数：
  34
• 可旋转键数：
  15
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  84.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  正辛基镁溴盐 在 aluminum (III) chloride 、 lithium aluminium tetrahydride 、 叔丁基锂 作用下， 以 四氢呋喃 、 乙醚 、 正戊烷 为溶剂， 反应 38.5h， 生成 2,8-dibromo-5-(1-octylnonyl)benzo[1,2-b:3,4-b':5,6-d'']trithiophene
  参考文献：
  名称：

  Benzotrithiophene Co-polymers with High Charge Carrier Mobilities in Field-Effect Transistors

  摘要：

  The successful design and synthesis of two novel benzo[1,2-b:3,4-b':5,6-d']trithiophene-containing polymers is presented. The planar benzotrithiophene core induces strong aggregation effects in alternating copolymers with both thiophene and thieno[3,2-b]thiophene. Co-monomer choice is found to play a crucial role in determining the backbone conformation, the interchain interactions, and the polymer solubility. Despite molecular disorder introduced by a branched solubilizing alkyl chain and a regiorandom polymerization of the asymmetric benzotrithiophene unit, these co-polymers exhibit hole mobilities as high as 0.24 cm(2)/(V s).

  DOI：

  10.1021/cm2015884

文献信息

• Benzotrithiophene Co-polymers with High Charge Carrier Mobilities in Field-Effect Transistors
  作者：Bob C. Schroeder、Christian B. Nielsen、Young Ju Kim、Jeremy Smith、Zhenggang Huang、James Durrant、Scott E. Watkins、Kigook Song、Thomas D. Anthopoulos、Iain McCulloch

  DOI：10.1021/cm2015884

  日期：2011.9.13

  The successful design and synthesis of two novel benzo[1,2-b:3,4-b':5,6-d']trithiophene-containing polymers is presented. The planar benzotrithiophene core induces strong aggregation effects in alternating copolymers with both thiophene and thieno[3,2-b]thiophene. Co-monomer choice is found to play a crucial role in determining the backbone conformation, the interchain interactions, and the polymer solubility. Despite molecular disorder introduced by a branched solubilizing alkyl chain and a regiorandom polymerization of the asymmetric benzotrithiophene unit, these co-polymers exhibit hole mobilities as high as 0.24 cm(2)/(V s).