2-(4-fluorobenzo[b]thiophene-2-yl)pyridine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 2-(4-fluorobenzo[b]thiophene-2-yl)pyridine
• 英文别名: 2-(4-Fluoro-1-benzothiophen-2-yl)pyridine；2-(4-fluoro-1-benzothiophen-2-yl)pyridine
• 化学式: C₁₃H₈FNS
• 分子量: 229.278
• InChiKey: BOMXUMTUBRPPTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(4-fluorobenzo[b]thiophene-2-yl)pyridine 在 mercury(II) diacetate 作用下， 以 乙醇 、 溶剂黄146 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Design and development of cyclometalated ruthenium complexes containing thiophenyl-pyridine ligand for dye-sensitized solar cells

  摘要：

  Two new cyclometalated ruthenium sensitizers NC102 (1) and NC103 (2), where the two NCS- ligands of the N3 analog were replaced with the 2-thiophen-2-yl-pyridine and 2-benzo[b]thiophen-2-yl-pyridine ligands, respectively, were designed and synthesized for dye-sensitized solar cell applications. The effects of these two ligands on the photophysical behavior of ruthenium complexes were investigated by their optical, electrochemical, and photovoltaic properties. The sensitizer NC103 (2) with the fluoride substitution in the ligand exhibited the best cell performance with a short-circuit current (J(sc)) of 9.45 mA/cm(2), an open-circuit voltage (V-oc) of 630 mV, and a fill factor (FF) of 0.71, giving an overall power conversion efficiency of (eta) 4.22% under simulated AM 1.5 irradiation. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2013.07.014
• 作为产物：
  描述：

  2,6-二氟苯甲醛 在 喹啉 、 四(三苯基膦)钯 、 正丁基锂 、 铜 、 potassium carbonate 、 potassium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 正己烷 、 水 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 35.0h， 生成 2-(4-fluorobenzo[b]thiophene-2-yl)pyridine
  参考文献：
  名称：

  Design and development of cyclometalated ruthenium complexes containing thiophenyl-pyridine ligand for dye-sensitized solar cells

  摘要：

  Two new cyclometalated ruthenium sensitizers NC102 (1) and NC103 (2), where the two NCS- ligands of the N3 analog were replaced with the 2-thiophen-2-yl-pyridine and 2-benzo[b]thiophen-2-yl-pyridine ligands, respectively, were designed and synthesized for dye-sensitized solar cell applications. The effects of these two ligands on the photophysical behavior of ruthenium complexes were investigated by their optical, electrochemical, and photovoltaic properties. The sensitizer NC103 (2) with the fluoride substitution in the ligand exhibited the best cell performance with a short-circuit current (J(sc)) of 9.45 mA/cm(2), an open-circuit voltage (V-oc) of 630 mV, and a fill factor (FF) of 0.71, giving an overall power conversion efficiency of (eta) 4.22% under simulated AM 1.5 irradiation. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2013.07.014