2-(9,9-Dihexylfluoren-2-yl)-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene | 928227-68-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 2-(9,9-Dihexylfluoren-2-yl)-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene
• CAS: 928227-68-3
• 化学式: C₄₁H₄₂S₄
• 分子量: 663.048
• InChiKey: BIQSGIMOJOAFGJ-UHFFFAOYSA-N

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-Dihexylfluoren-2-yl)-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene 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-Dihexylfluoren-2-yl)-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
  参考文献：
  名称：

  Synthesis, optical, electrochemical, and thermal properties of conjugated α-fluorenyl oligothiophenes

  摘要：

  A series of new alpha-fluorenyl oligothiophenes up to the pentamer have been synthesized using Suzuki cross-coupling and bromination reactions. The optical, electrochemical, and thermal properties of these materials can be tuned by varying the number of thiophene rings. The longer oligomers (n >= 4) were stable, crystalline, and unreactive to electrochemical oxidative dimerization. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.12.036
• 作为产物：
  描述：

  2-溴芴 在 四(三苯基膦)钯 sodium hydroxide 、 N-溴代丁二酰亚胺(NBS) 、 四丁基氯化铵 、 sodium carbonate 作用下， 以 四氢呋喃 、 二甲基亚砜 为溶剂， 生成 2-(9,9-Dihexylfluoren-2-yl)-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene
  参考文献：
  名称：

  Synthesis, optical, electrochemical, and thermal properties of conjugated α-fluorenyl oligothiophenes

  摘要：

  A series of new alpha-fluorenyl oligothiophenes up to the pentamer have been synthesized using Suzuki cross-coupling and bromination reactions. The optical, electrochemical, and thermal properties of these materials can be tuned by varying the number of thiophene rings. The longer oligomers (n >= 4) were stable, crystalline, and unreactive to electrochemical oxidative dimerization. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.12.036