4-{4-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy}phthalonitrile | 1542164-22-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 4-{4-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy}phthalonitrile
• 英文别名: 4-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]benzene-1,2-dicarbonitrile
• CAS: 1542164-22-6
• 化学式: C₂₆H₂₀N₂O₅
• 分子量: 440.455
• InChiKey: LJJVOYKPPZAWHN-NYYWCZLTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  102
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-硝基邻苯二甲腈 、 2-丙烯-1-酮,1-(4-羟基苯基)-3-(3,4,5-三甲氧苯基)-,(2E)- 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 96.0h， 以50%的产率得到4-{4-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy}phthalonitrile
  参考文献：
  名称：

  Synthesis and electrochemistry of metallophthalocyanines bearing {4-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy} groups

  摘要：

  In this study, metallophthalocyanines 4, 5, 6 was carried out by the cyclotetramerization of 4-{3-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy}phthalonitrile 3. The synthesis of metallo derivatives [Zn(II), Co(II), Cu(II)] of phthalocyanines obtained from corresponding phthalonitrile derivative and in the presence of the anhydrous divalent metal salts (Zn(CH3COO)(2), CoCl2 and CuCl2) was described. These phthalocyanines showed good solubility in organic solvents such as chloroform, tetrahydrofuran, DMSO and DMF. The newly synthesized Pcs were verified by IR, H-1 NMR, C-13 NMR, UV-vis and MS spectral data. The electrochemical properties of the zinc(II), copper(II) and cobalt(II) phthalocyanines were investigated by cyclic voltammetry (CV) and differential pulse voltammetry (DPV) methods. The cobalt complex showed a metal based reduction process, while zinc phthalocyanines were giving ligand based electron transfer processes. (C) 2013 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.11.021