4,7-bis(4-butyl-2-thienyl)-2,1,3-benzoselenadiazole | 1448616-77-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻二唑类
• 英文名称: 4,7-bis(4-butyl-2-thienyl)-2,1,3-benzoselenadiazole
• CAS: 1448616-77-0
• 化学式: C₂₂H₂₄N₂S₂Se
• 分子量: 459.538
• InChiKey: GTSXFRHRYQCNCR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.83
• 重原子数：
  27.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  25.78
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4,7-bis(4-butyl-2-thienyl)-2,1,3-benzoselenadiazole 在 N-碘代丁二酰亚胺 、 溶剂黄146 作用下， 以 氯仿 为溶剂， 反应 6.0h， 以89%的产率得到4,7-bis(4-butyl-5-iodo-2-thienyl)-2,1,3-benzoselenadiazole
  参考文献：
  名称：

  Synthesis of donor–acceptor type new organosilicon polymers and their applications to dye-sensitized solar cells

  摘要：

  Donor-acceptor type new organosilicon polymers that consisted of bithiophene unit as the donor and benzochalcogenadiazole or pyridine as the acceptor were synthesized by the Stifle cross coupling reactions of bis(iodothienyl)benzochalcogenadiazoles or bis(bromothienyl)pyridine with 1,2-bis (trimethylstannylthienyl)disilane. The photoreactions of these polymers with TiO2 electrodes led to the polymer-modified electrodes by the formation of Si-O-Ti linkages. The pyridine-containing polymer pT(4)Py could be attached to the TiO2 surface also under the dark conditions by N-Ti coordination. The polymer-modified TiO2 were applied to dye sensitized solar cells and the highest power conversion efficiency of 0.40% was obtained with the TiO2 electrode photochemically-modified by pT(4)Py. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.05.042
• 作为产物：
  描述：

  4,7-diiodobenzo<1,2,5>selenadiazole 、 tributyl-(4-butyl-thiophen-2-yl)-stannane 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 作用下， 以 四氢呋喃 为溶剂， 反应 48.0h， 以67%的产率得到4,7-bis(4-butyl-2-thienyl)-2,1,3-benzoselenadiazole
  参考文献：
  名称：

  Synthesis of donor–acceptor type new organosilicon polymers and their applications to dye-sensitized solar cells

  摘要：

  Donor-acceptor type new organosilicon polymers that consisted of bithiophene unit as the donor and benzochalcogenadiazole or pyridine as the acceptor were synthesized by the Stifle cross coupling reactions of bis(iodothienyl)benzochalcogenadiazoles or bis(bromothienyl)pyridine with 1,2-bis (trimethylstannylthienyl)disilane. The photoreactions of these polymers with TiO2 electrodes led to the polymer-modified electrodes by the formation of Si-O-Ti linkages. The pyridine-containing polymer pT(4)Py could be attached to the TiO2 surface also under the dark conditions by N-Ti coordination. The polymer-modified TiO2 were applied to dye sensitized solar cells and the highest power conversion efficiency of 0.40% was obtained with the TiO2 electrode photochemically-modified by pT(4)Py. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.05.042