2-[(E)-3-(4-Methoxycarbonyl-phenyl)-acryloyl]-isonicotinic acid methyl ester | 897037-18-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 2-[(E)-3-(4-Methoxycarbonyl-phenyl)-acryloyl]-isonicotinic acid methyl ester
• 英文别名: methyl 2-[(E)-3-(4-methoxycarbonylphenyl)prop-2-enoyl]pyridine-4-carboxylate
• CAS: 897037-18-2
• 化学式: C₁₈H₁₅NO₅
• 分子量: 325.321
• InChiKey: IXBLBYZJKHQFHY-VMPITWQZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  82.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-[(E)-3-(4-Methoxycarbonyl-phenyl)-acryloyl]-isonicotinic acid methyl ester 、 1-[2-氧-2-(2-吡啶基)乙基]碘化吡啶 在 乙酸铵 作用下， 以 甲醇 为溶剂， 反应 4.0h， 以52%的产率得到4'-(4-Methoxycarbonyl-phenyl)-[2,2';6',2'']terpyridine-4-carboxylic acid methyl ester
  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
• 作为产物：
  描述：

  2-乙酰吡啶-4-甲酸甲酯 、 对甲酰基苯甲酸甲酯 在 哌啶 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 5.0h， 以38%的产率得到2-[(E)-3-(4-Methoxycarbonyl-phenyl)-acryloyl]-isonicotinic acid methyl ester
  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.