6,6′-dimethyl-2,2′-bipyridine-4,4′-dibenzoic acid | 1350524-78-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 6,6′-dimethyl-2,2′-bipyridine-4,4′-dibenzoic acid
• 英文别名: 4-[2-[4-(4-Carboxyphenyl)-6-methylpyridin-2-yl]-6-methylpyridin-4-yl]benzoic acid；4-[2-[4-(4-carboxyphenyl)-6-methylpyridin-2-yl]-6-methylpyridin-4-yl]benzoic acid
• CAS: 1350524-78-5
• 化学式: C₂₆H₂₀N₂O₄
• 分子量: 424.456
• InChiKey: PSXIEODGAQKPDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.49
• 重原子数：
  32.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  100.38
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  tetrakis(actonitrile)copper(I) hexafluorophosphate 、 6,6′-dimethyl-2,2′-bipyridine-4,4′-dibenzoic acid 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.33h， 以95%的产率得到[Cu(6,6′-dimethyl-2,2′-bipyridine-4,4′-dibenzoic acid)₂][PF₆]
  参考文献：
  名称：

  A simple copper(I) complex and its application in efficient dye sensitized solar cells

  摘要：

  A novel copper(I) complex bearing two 6,6'-dimethyl-2,2'-bipyridine-4,4'-dibenzoic acid ligands was prepared along with related deprotonated derivatives with Na+ or NBu4+ as counterion. Their performance as photosensitizer in dye sensitized solar cells was studied as a function of the anchoring group and the electrolyte composition, comparing it with that of the known copper(I) complex bearing two 6,6'-dimethyl-2,2'-bipyridine-4,4'-dicarboxylic acid ligands and the ruthenium benchmark N719. Interestingly, the novel protonated complex is characterized by the best overall power conversion efficiency (3.0%) reported up to now for a copper(I) complex. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.07.028
• 作为产物：
  描述：

  (1E,5E)-1,6-di[4-(methoxycarbonyl)phenyl]hexa-1,5-diene-3,4-dione 在 ammonium acetate 、 三氟乙酸 、 sodium hydroxide 作用下， 以 乙醇 、 乙二醇甲醚 、 水 为溶剂， 反应 11.5h， 生成 6,6′-dimethyl-2,2′-bipyridine-4,4′-dibenzoic acid
  参考文献：
  名称：

  A simple copper(I) complex and its application in efficient dye sensitized solar cells

  摘要：

  A novel copper(I) complex bearing two 6,6'-dimethyl-2,2'-bipyridine-4,4'-dibenzoic acid ligands was prepared along with related deprotonated derivatives with Na+ or NBu4+ as counterion. Their performance as photosensitizer in dye sensitized solar cells was studied as a function of the anchoring group and the electrolyte composition, comparing it with that of the known copper(I) complex bearing two 6,6'-dimethyl-2,2'-bipyridine-4,4'-dicarboxylic acid ligands and the ruthenium benchmark N719. Interestingly, the novel protonated complex is characterized by the best overall power conversion efficiency (3.0%) reported up to now for a copper(I) complex. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.07.028

文献信息

• Towards efficient sustainable full-copper dye-sensitized solar cells
  作者：Claudia Dragonetti、Mirko Magni、Alessia Colombo、Francesco Fagnani、Dominique Roberto、Fabio Melchiorre、Paolo Biagini、Simona Fantacci

  DOI：10.1039/c9dt00790c

  日期：——

  Two new heteroleptic copper(i) sensitizers with π-delocalized ancillary ligands for full copper DSSCs.

  两种新的异配铜（i）敏化剂，带有π-脱局化辅助配体，用于全铜DSSCs。