4-(benzotriazol-1-yl)-5-[4-(1-methyl-1-phenylethyl)phenoxy]phthalodinitrile | 697239-05-7

• 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-(benzotriazol-1-yl)-5-[4-(1-methyl-1-phenylethyl)phenoxy]phthalodinitrile
• 英文别名: 4-(1H-benzotriazol-1-yl)-5-[4-(2-phenylpropan-2-yl)phenoxy]benzene-1,2-dicarbonitrile；4-(benzotriazol-1-yl)-5-[4-(2-phenylpropan-2-yl)phenoxy]benzene-1,2-dicarbonitrile
• CAS: 697239-05-7
• 化学式: C₂₉H₂₁N₅O
• 分子量: 455.519
• InChiKey: JTZUWCADJYKDHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 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：

  4-(benzotriazol-1-yl)-5-[4-(1-methyl-1-phenylethyl)phenoxy]phthalodinitrile 在 copper diacetate 作用下， 以60%的产率得到copper 3,10,17,24-tetra[4-(benzotriazol-1-yl)]-2,9,16,23-tetra{5-[4-(1-methyl-1-phenylethyl)phenoxy]}phthalocyanine
  参考文献：
  名称：

  Nucleophilic substitution in 4-bromo-5-nitrophthalodinitrile: VIII. Synthesis of 4-(benzotriazol-1-yl)-5-[4-(1-methyl-1-phenylethyl)phenoxy]phthalodinitrile and phthalocyanines on its basis

  摘要：

  Nucleophilic aromatic substitution of the bromine atom in 4-bromo-5-nitrophthalodinitrile by a 2-aminophenylamine residue followed by conversion of the resulting compound to 4-(1-benzothiazol-1-yl)-5-nitrophthalodinitrile and nucleophilic substitution of the nitro group by a 4-(1-methyl-1-phenylethyl)-phenoxy group gave 4-(benzotriazol-1-yl)-5-[4-(1-methyl-1-phenylethyl)phenoxy]phthalodinitrile. The latter product was reacted with certain metal acetates and chlorides to obtain the corresponding metal complexes of octasubstituted phthalocyanines. Spectral properties of the complexes were studied.

  DOI：

  10.1134/s1070363207090216
• 作为产物：
  描述：

  4-肉桂苯酚 、 4-(1H-1,2,3-benzotriazol-1-yl)-5-nitrophthalonitrile 在 potassium carbonate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 以87%的产率得到4-(benzotriazol-1-yl)-5-[4-(1-methyl-1-phenylethyl)phenoxy]phthalodinitrile
  参考文献：
  名称：

  Nucleophilic substitution in 4-bromo-5-nitrophthalodinitrile: VIII. Synthesis of 4-(benzotriazol-1-yl)-5-[4-(1-methyl-1-phenylethyl)phenoxy]phthalodinitrile and phthalocyanines on its basis

  摘要：

  Nucleophilic aromatic substitution of the bromine atom in 4-bromo-5-nitrophthalodinitrile by a 2-aminophenylamine residue followed by conversion of the resulting compound to 4-(1-benzothiazol-1-yl)-5-nitrophthalodinitrile and nucleophilic substitution of the nitro group by a 4-(1-methyl-1-phenylethyl)-phenoxy group gave 4-(benzotriazol-1-yl)-5-[4-(1-methyl-1-phenylethyl)phenoxy]phthalodinitrile. The latter product was reacted with certain metal acetates and chlorides to obtain the corresponding metal complexes of octasubstituted phthalocyanines. Spectral properties of the complexes were studied.

  DOI：

  10.1134/s1070363207090216

文献信息

• Photochemical Stability of Complexes of Phenoxy Derivatives of Phthalocyanines with Mg(II) and Cu(II)
  作者：E. A. Kostrova、A. S. Malyasova

  DOI：10.1134/s1070363223060312

  日期：2023.6

  Abstract The stability of magnesium(II) and copper(II) phthalocyaninates, bearing a nitro group and benzotriazolyl and phenylethylphenoxy moieties, under UV irradiation in benzene was studied. The rate constants for the photodegradation of the phthalocyanines at 20°C were calculated. It was shown that the introduction of an Mg atom into the coordination cavity of the phthalocyanine increases the rate

  摘要 研究了带有硝基、苯并三唑基和苯乙基苯氧基部分的酞菁镁(II)和铜(II)在苯中紫外线照射下的稳定性。计算了 20°C 下酞菁光降解的速率常数。结果表明，与 Cu(II) 配合物相比，在酞菁的配位空腔中引入 Mg 原子会增加紫外线照射下大环化合物的破坏率。这一事实可以通过金属与环内氮原子键合性质的差异来解释。结果表明，金属的共价键合程度、光降解速率和发光能力具有一定的相互依赖性。
• Nucleophilic substitution in 4-bromo-5-nitrophthalodinitrile: VIII. Synthesis of 4-(benzotriazol-1-yl)-5-[4-(1-methyl-1-phenylethyl)phenoxy]phthalodinitrile and phthalocyanines on its basis
  作者：S. A. Znoiko、V. E. Maizlish、G. P. Shaposhnikov、I. G. Abramov、M. N. Voron’ko

  DOI：10.1134/s1070363207090216

  日期：2007.9

  Nucleophilic aromatic substitution of the bromine atom in 4-bromo-5-nitrophthalodinitrile by a 2-aminophenylamine residue followed by conversion of the resulting compound to 4-(1-benzothiazol-1-yl)-5-nitrophthalodinitrile and nucleophilic substitution of the nitro group by a 4-(1-methyl-1-phenylethyl)-phenoxy group gave 4-(benzotriazol-1-yl)-5-[4-(1-methyl-1-phenylethyl)phenoxy]phthalodinitrile. The latter product was reacted with certain metal acetates and chlorides to obtain the corresponding metal complexes of octasubstituted phthalocyanines. Spectral properties of the complexes were studied.