4'-p-Tolyl-[2,2';6',2'']terpyridine-4,4''-dicarboxylic acid

• 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: 4'-p-Tolyl-[2,2';6',2'']terpyridine-4,4''-dicarboxylic acid
• 英文别名: 4'-(4-Methylphenyl)-2,2':6',2''-terpyridine-4,4''-dicarboxylic acid；2-[6-(4-carboxypyridin-2-yl)-4-(4-methylphenyl)pyridin-2-yl]pyridine-4-carboxylic acid
• 化学式: C₂₄H₁₇N₃O₄
• 分子量: 411.417
• InChiKey: XUXRHOIPCXEGSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  113
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4'-p-Tolyl-[2,2';6',2'']terpyridine-4,4''-dicarboxylic acid dimethyl ester 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以80%的产率得到4'-p-Tolyl-[2,2';6',2'']terpyridine-4,4''-dicarboxylic acid
  参考文献：
  名称：

  New carboxy-functionalized terpyridines as precursors for zwitterionic ruthenium complexes for polymer-based solar cells

  摘要：

  New carboxy-terpyridines selectively functionalized at the 4-, 4'- and 4"-positions were prepared in a three-step procedure with good yields using, the Krohnke reaction followed by saponification. Their complexation with ruthenium led to symmetric and unsymmetric terpyridinyl zwitterionic complexes. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.03.098

文献信息

• New carboxy-functionalized terpyridines as precursors for zwitterionic ruthenium complexes for polymer-based solar cells
  作者：Virginie Duprez、Frederik C. Krebs

  DOI：10.1016/j.tetlet.2006.03.098

  日期：2006.5

  New carboxy-terpyridines selectively functionalized at the 4-, 4'- and 4"-positions were prepared in a three-step procedure with good yields using, the Krohnke reaction followed by saponification. Their complexation with ruthenium led to symmetric and unsymmetric terpyridinyl zwitterionic complexes. (c) 2006 Elsevier Ltd. All rights reserved.