2-(5-Bromothiophen-2-yl)-3-[4-[2-(5-bromothiophen-2-yl)-2-cyanoethenyl]-2,5-dioctoxyphenyl]prop-2-enenitrile | 637771-45-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(5-Bromothiophen-2-yl)-3-[4-[2-(5-bromothiophen-2-yl)-2-cyanoethenyl]-2,5-dioctoxyphenyl]prop-2-enenitrile
• CAS: 637771-45-0
• 化学式: C₃₆H₄₂Br₂N₂O₂S₂
• 分子量: 758.682
• InChiKey: NIYMRJJOFSSOGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.7
• 重原子数：
  44
• 可旋转键数：
  20
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  123
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-噻吩乙腈 在 N-溴代丁二酰亚胺(NBS) 、 potassium tert-butylate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 27.0h， 生成 2-(5-Bromothiophen-2-yl)-3-[4-[2-(5-bromothiophen-2-yl)-2-cyanoethenyl]-2,5-dioctoxyphenyl]prop-2-enenitrile
  参考文献：
  名称：

  Optical and Electrical Properties of π-Conjugated Polymers Based on Electron-Rich 3,6-Dimethoxy-9,9-dihexylfluorene Unit

  摘要：

  A new family of pi-conjugated polymers has been developed using 3,6-dimethoxy-9,9-dihexylfluorene as an electron-rich unit. These electroactive and photoactive polymers have been prepared from nickel(0)-mediated coupling or by palladium-catalyzed Suzuki coupling. These new 3,6-dimethoxy-9,9-dihexylfluorene-based copolymers have demonstrated emission spanning the entire visible spectrum. Moreover, all of these polymers show reversible electroactivity upon reduction and oxidation, and as expected, the presence of methoxy groups onto the fluorene moiety increases the ionization potential of the resulting copolymers by about 0.2 eV when compared with some 9,9-dihexylfluorene-based copolymers. The reduction of the energy barrier for the injection of holes in related polymeric light-emitting devices should contribute to the enhancement of their performances.

  DOI：

  10.1021/ma035064j