2-[9,9-Dihexyl-7-(5-thiophen-2-ylthiophen-2-yl)fluoren-2-yl]-5-thiophen-2-ylthiophene | 929562-78-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 2-[9,9-Dihexyl-7-(5-thiophen-2-ylthiophen-2-yl)fluoren-2-yl]-5-thiophen-2-ylthiophene
• CAS: 929562-78-7
• 化学式: C₄₁H₄₂S₄
• 分子量: 663.048
• InChiKey: HWTFVQLFZXGZLK-UHFFFAOYSA-N

物化性质

• 熔点：
  120 °C
• 沸点：
  750.4±60.0 °C(predicted)
• 密度：
  1.157±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  15.3
• 重原子数：
  45
• 可旋转键数：
  14
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  113
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[9,9-Dihexyl-7-(5-thiophen-2-ylthiophen-2-yl)fluoren-2-yl]-5-thiophen-2-ylthiophene 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 四氢呋喃 为溶剂， 以98%的产率得到2-Bromo-5-[5-[7-[5-(5-bromothiophen-2-yl)thiophen-2-yl]-9,9-dihexylfluoren-2-yl]thiophen-2-yl]thiophene
  参考文献：
  名称：

  Synthesis and characterization of novel N-carbazole end-capped oligothiophene-fluorenes

  摘要：

  A series of novel N-carbazole end-capped oligothiophene-fluorenes was synthesized using Ullmann coupling, bromination, and Suzuki coupling reactions. The optical, thermal, and electrochemical properties of these materials can be tuned by varying the conjugation length of the oligothiophene segment. The terminal carbazole and central fluorene moieties of the resulting materials are beneficial for their morphology, conjugation length, and solubility. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.12.073
• 作为产物：
  描述：

  9,9-二己基-2,7-二溴代芴 在 四(三苯基膦)钯 N-溴代丁二酰亚胺(NBS) 、 sodium carbonate 作用下， 以 四氢呋喃 为溶剂， 生成 2-[9,9-Dihexyl-7-(5-thiophen-2-ylthiophen-2-yl)fluoren-2-yl]-5-thiophen-2-ylthiophene
  参考文献：
  名称：

  Synthesis and characterization of novel N-carbazole end-capped oligothiophene-fluorenes

  摘要：

  A series of novel N-carbazole end-capped oligothiophene-fluorenes was synthesized using Ullmann coupling, bromination, and Suzuki coupling reactions. The optical, thermal, and electrochemical properties of these materials can be tuned by varying the conjugation length of the oligothiophene segment. The terminal carbazole and central fluorene moieties of the resulting materials are beneficial for their morphology, conjugation length, and solubility. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.12.073