4-chloro-5-[3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yloxy]phthalonitrile | 1379458-84-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 4-chloro-5-[3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yloxy]phthalonitrile
• CAS: 1379458-84-0
• 化学式: C₂₄H₁₃ClN₂O₄
• 分子量: 428.831
• InChiKey: PLABSXYJRPCNRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.66
• 重原子数：
  31.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  96.25
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  4-chloro-5-[3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yloxy]phthalonitrile 在 N,N-二甲基乙醇胺 、 zinc(II) acetate dihydrate 作用下， 反应 16.0h， 以29%的产率得到2,9,16,23-tetrakis(3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yloxy)-3,10,17,24-tetrachloro-phthalocyaninatozinc(II)
  参考文献：
  名称：

  Highly soluble 7-oxy-3-(4-methoxyphenyl)coumarin bearing zinc phthalocyanines: Synthesis and investigation of photophysical and photochemical properties

  摘要：

  The synthesis of 7-oxy-3-(4-methoxyphenyl)coumarin-substituted peripherally and non-peripherally tetrakis- and peripherally octakis-tetrachloro zinc(II) phthalocyanine complexes are described for the first time in this study. The new compounds have been characterized by elemental analysis, IR, (1)H NMR, UV-vis spectroscopy and mass spectra. The photophysical and photochemical properties are important for photodynamic therapy applications and these properties of studied phthalocyanine complexes are investigated in N,N-dimethyl formamide (DMF). The effects of the number of the substitution and the position (peripheral or non-peripheral) on the photophysical and photochemical parameters of the zinc(II) phthalocyanine complexes are reported. The fluorescence quenching behaviour of the studied zinc(II) phthalocyanine complexes by the addition of 1,4-benzoquinone are also described. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jphotochem.2011.07.014
• 作为产物：
  描述：

  7-hydroxy-3-(4-methoxyphenyl)-2H-chromen-2-one 、 4,5-二氯邻苯二甲腈 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以79%的产率得到4-chloro-5-[3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yloxy]phthalonitrile
  参考文献：
  名称：

  Highly soluble 7-oxy-3-(4-methoxyphenyl)coumarin bearing zinc phthalocyanines: Synthesis and investigation of photophysical and photochemical properties

  摘要：

  The synthesis of 7-oxy-3-(4-methoxyphenyl)coumarin-substituted peripherally and non-peripherally tetrakis- and peripherally octakis-tetrachloro zinc(II) phthalocyanine complexes are described for the first time in this study. The new compounds have been characterized by elemental analysis, IR, (1)H NMR, UV-vis spectroscopy and mass spectra. The photophysical and photochemical properties are important for photodynamic therapy applications and these properties of studied phthalocyanine complexes are investigated in N,N-dimethyl formamide (DMF). The effects of the number of the substitution and the position (peripheral or non-peripheral) on the photophysical and photochemical parameters of the zinc(II) phthalocyanine complexes are reported. The fluorescence quenching behaviour of the studied zinc(II) phthalocyanine complexes by the addition of 1,4-benzoquinone are also described. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jphotochem.2011.07.014