(E,E)-2,5-dimethoxy-1,4-bis[2-(4-(ethyl carboxylate)styryl)]benzene | 1446757-97-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (E,E)-2,5-dimethoxy-1,4-bis[2-(4-(ethyl carboxylate)styryl)]benzene
• 英文别名: ethyl 4-[(E)-2-[4-[(E)-2-(4-ethoxycarbonylphenyl)ethenyl]-2,5-dimethoxyphenyl]ethenyl]benzoate
• CAS: 1446757-97-6
• 化学式: C₃₀H₃₀O₆
• 分子量: 486.565
• InChiKey: CMAXNZLCIPSOQU-JYFOCSDGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  36
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  对苯二甲醚 在 亚磷酸三苯酯 、 potassium iodate 、 硫酸 、 碘 、 potassium carbonate 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 作用下， 以 水 、 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 生成 (E,E)-2,5-dimethoxy-1,4-bis[2-(4-(ethyl carboxylate)styryl)]benzene
  参考文献：
  名称：

  High-Yield Synthesis of the Novel E,E-2,5-Dimethoxy-1,4-bis[2-(4-ethylcarboxylatestyril)]benzene by the Heck Reaction

  摘要：

  The novel E,E-2,5-dimethoxy-1,4-bis[2-(4-ethylcarboxylatestyril)]benzene, 4, was obtained in good yield (92%), by the Heck cross-coupling reaction using Pd(dba)(2) and P(OPh)(3) like catalytic system. The high trans specificity of the product produced by the Heck reaction was confirmed by Fourier Transform-infrared and NMR. The methodology reported can be used as synthetic route for precursors to phenylenevinylene target systems with highly desired functional groups in their molecular structure, such as carboxylic, to build metal-organic frameworks and other applications within the supramolecular chemistry. Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) to view the free supplemental file.

  DOI：

  10.1080/00397911.2012.699579