4-{[4'-methyl(1,1'-biphenyl)-4-yl]oxy}-5-nitrophthalonitrile

• 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-{[4'-methyl(1,1'-biphenyl)-4-yl]oxy}-5-nitrophthalonitrile
• 英文别名: 4-[(4'-Methylbiphenyl-4-YL)oxy]-5-nitrobenzene-1,2-dicarbonitrile；4-[4-(4-methylphenyl)phenoxy]-5-nitrobenzene-1,2-dicarbonitrile
• 化学式: C₂₁H₁₃N₃O₃
• 分子量: 355.353
• InChiKey: BELMQWLAVZSDHJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  103
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  aluminum (III) chloride 、 4-{[4'-methyl(1,1'-biphenyl)-4-yl]oxy}-5-nitrophthalonitrile 在 尿素 作用下， 反应 1.5h， 以63%的产率得到(chloro)aluminum tetra-4-{[4'-methyl(1,1'-biphenyl)-4-yl]oxy}tetra-5-nitrophthalocyanine
  参考文献：
  名称：

  Synthesis and Spectral-Luminescent Properties of Octa-substituted Aluminum Phthalocyanines Bearing Biphenyloxy Groups

  摘要：

  Mixed-substituted aluminum phthalocyanines bearing biphenyloxy substituents and nitro groups or 1-benzotriazole moieties in the periphery were synthesized on the basis of the previously obtained 4,5-disubstituted phthalonitriles. The spectral-luminescent properties of the resultant compounds were studied.

  DOI：

  10.1134/s1070363219100116
• 作为产物：
  描述：

  4-(4-甲基苯基)苯酚 、 4-溴-5-硝基-1,2-苯二甲腈 在 potassium carbonate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 以92%的产率得到4-{[4'-methyl(1,1'-biphenyl)-4-yl]oxy}-5-nitrophthalonitrile
  参考文献：
  名称：

  Nucleophilic Substitution of 4-Bromo-5-nitrophthalodinitrile: XVII. Synthesis and Properties of Bifunctionally Substituted Metal Phthalocyanines with Aryloxy and Nitro Groups

  摘要：

  By substitution of bromine in 4-bromo-5-nitrophthalonitrile 4-(aryloxy)-5-nitrophthalonitriles were synthesized and, on their basis, cobalt and copper tetra(4-aryloxy-5-nitro)phthalo-cyanines were prepared. Spectral properties of the obtained octasubstituted phthalocyanines were investigated.

  DOI：

  10.1134/s1070363218070125

文献信息

• Synthesis and Spectral-Luminescent Properties of Octa-substituted Aluminum Phthalocyanines Bearing Biphenyloxy Groups
  作者：S. A. Znoiko、D. A. Erzunov、T. V. Tikhomirova、V. E. Maizlish、A. S. Vashurin

  DOI：10.1134/s1070363219100116

  日期：2019.10

  Mixed-substituted aluminum phthalocyanines bearing biphenyloxy substituents and nitro groups or 1-benzotriazole moieties in the periphery were synthesized on the basis of the previously obtained 4,5-disubstituted phthalonitriles. The spectral-luminescent properties of the resultant compounds were studied.
• Nucleophilic Substitution of 4-Bromo-5-nitrophthalodinitrile: XVII. Synthesis and Properties of Bifunctionally Substituted Metal Phthalocyanines with Aryloxy and Nitro Groups
  作者：A. I. Mikhailova、S. A. Znoiko、V. E. Maizlish、G. P. Shaposhnikov、I. G. Abramov、M. B. Abramova

  DOI：10.1134/s1070363218070125

  日期：2018.7

  By substitution of bromine in 4-bromo-5-nitrophthalonitrile 4-(aryloxy)-5-nitrophthalonitriles were synthesized and, on their basis, cobalt and copper tetra(4-aryloxy-5-nitro)phthalo-cyanines were prepared. Spectral properties of the obtained octasubstituted phthalocyanines were investigated.