4-(2-carboxyphenyloxy)phthalonitrile

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(2-carboxyphenyloxy)phthalonitrile
• 英文别名: 2-(3,4-dicyanophenoxy)benzoic acid
• 化学式: C₁₅H₈N₂O₃
• 分子量: 264.24
• InChiKey: VLTXJPDALDNJOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  94.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-溴邻苯二甲腈 、 水杨酸 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以64%的产率得到4-(2-carboxyphenyloxy)phthalonitrile
  参考文献：
  名称：

  Tetrasubstituted Phthalocyanines with Benzoic Acids Moieties

  摘要：

  Phthalonitriles substituted with o-hydroxybenzoic, o-aminobenzoic, and o-mercaptobenzoic acids moieties were synthesized by nucleophilic substitution of bromine in 4-bromophthalonitrile and of nitro group in 4-nitrophthalonitrile. Template condensation of these phthalonitriles with metal acetates gave the corresponding phthalocyanines. Metal-free phthalocyanines were synthesized by dissociation of the magnesium complexes of the substituted phthalocyanines in a sulfuric acid medium. Treatment of the resultant phthalocyanines with sodium ethoxide in ethanol yielded sodium salts of the carboxylic acids. The spectral properties of the compounds synthesized were examined.

  DOI：

  10.1134/s1070363219060264

文献信息

• [EN] BETA-CYCLODEXTRIN DIMERS AND PHTHALOCYANINES AND USES THEREOF<br/>[FR] DIMERES DE BETA-CYCLODEXTRINE ET PHTHALOCYANINES, ET LEURS UTILISATIONS
  申请人：UNIV COLUMBIA

  公开号：WO2003052060A2

  公开（公告）日：2003-06-26

  The invention provides β-cyclodextrin dimers and phthalocyanines which can be used in photodynamic therapy of cancer.
• Tetrasubstituted Phthalocyanines with Benzoic Acids Moieties
  作者：D. A. Kuznetsova、T. V. Tikhomirova、V. E. Maizlish、G. P. Shaposhnikov

  DOI：10.1134/s1070363219060264

  日期：2019.6

  Phthalonitriles substituted with o-hydroxybenzoic, o-aminobenzoic, and o-mercaptobenzoic acids moieties were synthesized by nucleophilic substitution of bromine in 4-bromophthalonitrile and of nitro group in 4-nitrophthalonitrile. Template condensation of these phthalonitriles with metal acetates gave the corresponding phthalocyanines. Metal-free phthalocyanines were synthesized by dissociation of the magnesium complexes of the substituted phthalocyanines in a sulfuric acid medium. Treatment of the resultant phthalocyanines with sodium ethoxide in ethanol yielded sodium salts of the carboxylic acids. The spectral properties of the compounds synthesized were examined.