3,4-dicyanophenyl 4-(nonyloxy)benzoate | 1122708-60-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 3,4-dicyanophenyl 4-(nonyloxy)benzoate
• 英文别名: 3,4-Dicyanophenyl 4-(nonyloxy)benzoate；(3,4-dicyanophenyl) 4-nonoxybenzoate
• CAS: 1122708-60-4
• 化学式: C₂₄H₂₆N₂O₃
• 分子量: 390.482
• InChiKey: SUQSTHJFYQYXTD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  29
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  83.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-硝基邻苯二甲腈 在 吡啶 、 potassium carbonate 、 sodium nitrite 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 17.0h， 生成 3,4-dicyanophenyl 4-(nonyloxy)benzoate
  参考文献：
  名称：

  Phthalonitriles containing ester groups and copper phthalocyanines based on them

  摘要：

  Phthalonitriles containing ester groups were obtained by acylation of 4-hydroxyphthalonitrile and esterification of 4-(p-carboxyphenyloxy)phthalonitriles. On the basis of these phthalonitriles the respective copper phthalocyanines were synthesized. Spectral and some other physical and chemical properties of the synthesized compounds were investigated.

  DOI：

  10.1134/s1070363211040268

文献信息

• 4-acyloxy- and 4-acylaminophthalonitriles and phthalocyanines based thereon
  作者：T. V. Tararykina、V. E. Maizlish、N. E. Galanin、G. P. Shaposhnikov、V. V. Bykova、N. V. Usol’tseva

  DOI：10.1134/s1070428007110231

  日期：2007.11

  Reactions of 4-hydroxy- and 4-aminophthalonitriles with substituted benzoyl chlorides gave the corresponding N- and O-benzoyl derivatives, and the latter were used to obtain copper and nickel phthalocyanine complexes. Effect of the substituents in the latter on their electronic absorption spectra was studied. The obtained complexes were found to undergo association in organic solvents.
• Phthalonitriles containing ester groups and copper phthalocyanines based on them
  作者：T. V. Tikhomirova、V. E. Maizlish、G. P. Shaposhnikov

  DOI：10.1134/s1070363211040268

  日期：2011.4

  Phthalonitriles containing ester groups were obtained by acylation of 4-hydroxyphthalonitrile and esterification of 4-(p-carboxyphenyloxy)phthalonitriles. On the basis of these phthalonitriles the respective copper phthalocyanines were synthesized. Spectral and some other physical and chemical properties of the synthesized compounds were investigated.