4-(1-benzotriazolyl)-5-{[4'-methyl(1,1'-biphenyl)-4-yl]oxy}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-(1-benzotriazolyl)-5-{[4'-methyl(1,1'-biphenyl)-4-yl]oxy}phthalonitrile
• 英文别名: 4-(1H-1,2,3-benzotriazol-1-yl)-5-[(4'-methyl[1,1'-biphenyl]-4-yl)oxy]phthalonitrile；4-(benzotriazol-1-yl)-5-[4-(4-methylphenyl)phenoxy]benzene-1,2-dicarbonitrile
• 化学式: C₂₇H₁₇N₅O
• 分子量: 427.465
• InChiKey: LGLAMHZTYZBCOP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  87.5
• 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-(1-benzotriazolyl)-5-{[4'-methyl(1,1'-biphenyl)-4-yl]oxy}phthalonitrile 在 尿素 作用下， 反应 1.5h， 以53%的产率得到(chloro)aluminum tetra-4-(1-benzotriazolyl)tetra-5-{[4'-methyl(1,1'-biphenyl)-4-yl]oxy}phthalocyanine
  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-溴-5-硝基-1,2-苯二甲腈 在 potassium carbonate 、 三乙胺 、 sodium nitrite 作用下， 以 水 、 溶剂黄146 、 N,N-二甲基甲酰胺 、 异丙醇 为溶剂， 反应 3.0h， 生成 4-(1-benzotriazolyl)-5-{[4'-methyl(1,1'-biphenyl)-4-yl]oxy}phthalonitrile
  参考文献：
  名称：

  4-(1-Benzotriazolyl)-5-nitrophthalonitrile as a highly active substrate in aromatic nucleophilic substitution reactions

  摘要：

  The title compound was synthesised, and its derivatives were prepared in high yields using the selective substitution of O-, S- and N-nucleophiles for the nitro group; an activating effect of the benzotriazolyl moiety on the above reactions was found.

  DOI：

  10.1070/mc2002v012n02abeh001538

文献信息

• 4-(1-Benzotriazolyl)-5-nitrophthalonitrile as a highly active substrate in aromatic nucleophilic substitution reactions
  作者：Alexey V. Smirnov、Igor G. Abramov、Vladimir V. Plakhtinskii、Galina G. Krasovskaya

  DOI：10.1070/mc2002v012n02abeh001538

  日期：2002.1

  The title compound was synthesised, and its derivatives were prepared in high yields using the selective substitution of O-, S- and N-nucleophiles for the nitro group; an activating effect of the benzotriazolyl moiety on the above reactions was found.
• 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.