2,6-dibromo-N-(4-fluorophenyl)-4H-cyclopenta[2,1-b:3,4-b']dithiophen-4-imine | 1422041-96-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,6-dibromo-N-(4-fluorophenyl)-4H-cyclopenta[2,1-b:3,4-b']dithiophen-4-imine
• CAS: 1422041-96-0
• 化学式: C₁₅H₆Br₂FNS₂
• 分子量: 443.158
• InChiKey: VTWBLBUTZHFSGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.62
• 重原子数：
  21.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  12.36
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2,6-dibromo-N-(4-fluorophenyl)-4H-cyclopenta[2,1-b:3,4-b']dithiophen-4-imine 、 六甲基二锡 在 四(三苯基膦)钯 作用下， 以 甲苯 为溶剂， 生成 N-(4-fluorophenyl)-2,6-bis(trimethylstannyl)-4H-cyclopenta[2,1-b:3,4-b']dithiophen-4-imine
  参考文献：
  名称：

  Bridgehead Imine Substituted Cyclopentadithiophene Derivatives: An Effective Strategy for Band Gap Control in Donor–Acceptor Polymers

  摘要：

  Bridgehead imine substituted cyclopentadithiophene structural units offer the opportunity to modify the electronic properties, in particular, the HOMO-LUMO energy levels of donor-acceptor polymers with unprecedented precision. Utilizing a common synthetic pathway, copolymers with high average molecular weights, a variety of functionality, and properties suitable for solar cell incorporation can be generated. The fabrication of organic photovoltaic devices with these new materials is demonstrated.

  DOI：

  10.1021/ma302569u
• 作为产物：
  描述：

  4H-环戊并[2,1-B:3,4-B']二噻吩-4-酮 在 N-溴代丁二酰亚胺(NBS) 、 四氯化钛 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 2,6-dibromo-N-(4-fluorophenyl)-4H-cyclopenta[2,1-b:3,4-b']dithiophen-4-imine
  参考文献：
  名称：

  Bridgehead Imine Substituted Cyclopentadithiophene Derivatives: An Effective Strategy for Band Gap Control in Donor–Acceptor Polymers

  摘要：

  Bridgehead imine substituted cyclopentadithiophene structural units offer the opportunity to modify the electronic properties, in particular, the HOMO-LUMO energy levels of donor-acceptor polymers with unprecedented precision. Utilizing a common synthetic pathway, copolymers with high average molecular weights, a variety of functionality, and properties suitable for solar cell incorporation can be generated. The fabrication of organic photovoltaic devices with these new materials is demonstrated.

  DOI：

  10.1021/ma302569u