4,5-bis(4-(4-methoxyphenyl)-8-methylcoumarin-7-loxy)-phthalonitrile | 1414268-72-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 新黄酮类化合物
• 英文名称: 4,5-bis(4-(4-methoxyphenyl)-8-methylcoumarin-7-loxy)-phthalonitrile
• 英文别名: 4,5-bis(4-(4-methoxyphenyl)-8-methylcoumarin-7-yloxy)phthalonitrile
• CAS: 1414268-72-6
• 化学式: C₄₂H₂₈N₂O₈
• 分子量: 688.693
• InChiKey: BDCNTXFBFALPER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.2
• 重原子数：
  52.0
• 可旋转键数：
  8.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  144.92
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  4,5-bis(4-(4-methoxyphenyl)-8-methylcoumarin-7-loxy)-phthalonitrile 、 iron(II) acetate 在 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.33h， 以9.6%的产率得到2,3,9,10,16,17,23,24-octa(4-(4-methoxy-phenyl)-8-methylcoumarin-7-yloxy)phthalocyaninatoiron(II)
  参考文献：
  名称：

  Gas sensing and electrochemical properties of tetra and octa 2H-chromen-2-one substituted iron(ii) phthalocyanines

  摘要：

  翻译结果： 研究了不同取代基的新型铁（II）酞菁化合物的CO2、CO和SO2感应和氧化还原性质。这些化合物的旋涂薄膜表现出对CO和CO2的高敏感性。然而，接触SO2对传感器电流没有显著影响。

  DOI：

  10.1039/c4dt03301a
• 作为产物：
  描述：

  4,5-二氯邻苯二甲腈 、 7-hydroxy-4-(4-methoxyphenyl)-8-methyl-2H-2-chromenone 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 240.17h， 以58.04%的产率得到4-chloro-5-(4-(4-methoxyphenyl)-8-methylcoumarin-7-yloxy)phthalonitrile
  参考文献：
  名称：

  Peripheral octa-substituted metal-free, cobalt(II) and zinc(II) phthalocyanines bearing coumarin and chloro groups: Synthesis, characterization, spectral and electrochemical properties

  摘要：

  Novel octa-substituted metal-free, cobalt(II) and zinc(II) phthalocyanines have been synthesized by using chloro and/or coumarin substituted phthalonitrile derivatives. The compounds were characterized by UV-Vis, IR, H-1 NMR, and MALDI-TOF mass spectrometry and elemental analysis. The effects of substituents, metals, solvents and concentration on spectroscopic properties and aggregation behaviour of the novel Pcs were investigated. Furthermore, the redox properties of the octa-4-(4-methoxyphenyl)-7-oxo-8-methylcoumarin-substituted compounds were examined in dimethylsulfoxide and dichloromethane by voltammetry and in situ spectroelectrochemistry. Metal-free phthalocyanine and zinc phthalocyanine displayed ligand-based one-electron redox processes whereas cobalt phthalocyanine showed both ligand- and metal-based processes. A couple corresponding to the reduction of 4-(4-methoxyphenyl)-7-oxo-8-methylcoumarin substituents was also detected. The redox processes of the compounds in dimethylsulfoxide were observed to be broad or split, due to the association of electron transfer processes by aggregation-deaggregation equilibrium. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.08.080