4-(morpholin-4-yl)tetra-5-{[3,4'-dimethyl(1,1'-biphenyl)-4-yl]oxy}phthalonitrile | 696619-49-5

• 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-(morpholin-4-yl)tetra-5-{[3,4'-dimethyl(1,1'-biphenyl)-4-yl]oxy}phthalonitrile
• 英文别名: 4-(morpholin-4-yl)-5-((3,4'-dimethyl(1,1'-biphenyl)-4-yl)oxy)phthalodinitrile；4-[2-Methyl-4-(4-methylphenyl)phenoxy]-5-morpholin-4-ylbenzene-1,2-dicarbonitrile
• CAS: 696619-49-5
• 化学式: C₂₆H₂₃N₃O₂
• mdl: MFCD04062136
• 分子量: 409.488
• InChiKey: SMIFNSYLDFXDFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  69.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(morpholin-4-yl)tetra-5-{[3,4'-dimethyl(1,1'-biphenyl)-4-yl]oxy}phthalonitrile 在 copper(II) acetate monohydrate 、 尿素 作用下， 反应 2.0h， 以43%的产率得到copper tetra-4-(morpholin-4-yl)-tetra-5-{[3,4'-dimethyl(1,1'-biphenyl)-4-yl]oxy}phthalocyanine
  参考文献：
  名称：

  Nucleophilic substitution in 4-bromo-5-nitrophthalodinitrile: IX. Synthesis of 4-(morpholin-4-yl)-5-aryloxyphthalodinitriles and copper phthalocyanines based thereon

  摘要：

  Nucleophilic aromatic substitution of bromine in 4-bromo-5-nitrophthalodinitrile with the morpholine residue and the subsequent substitution of nitro group with the aryloxy one yielded 4-morpholyl-5-aryloxyphthalodinitriles. From these substances octasubstituted copper phthalocyanines were synthesized, and their physicochemical properties were studied.

  DOI：

  10.1134/s1070363209050260
• 作为产物：
  描述：

  3,4-二甲基[1,1-联苯]-4-醇 、 4-morpholino-5-nitrophthalinonitrile 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以78%的产率得到4-(morpholin-4-yl)tetra-5-{[3,4'-dimethyl(1,1'-biphenyl)-4-yl]oxy}phthalonitrile
  参考文献：
  名称：

  Nucleophilic substitution in 4-bromo-5-nitrophthalodinitrile: IX. Synthesis of 4-(morpholin-4-yl)-5-aryloxyphthalodinitriles and copper phthalocyanines based thereon

  摘要：

  Nucleophilic aromatic substitution of bromine in 4-bromo-5-nitrophthalodinitrile with the morpholine residue and the subsequent substitution of nitro group with the aryloxy one yielded 4-morpholyl-5-aryloxyphthalodinitriles. From these substances octasubstituted copper phthalocyanines were synthesized, and their physicochemical properties were studied.

  DOI：

  10.1134/s1070363209050260

文献信息

• Synthesis and properties of tetra-4-morpholinyl(piperidinyl)-5-R-substituted phthalocyanines
  作者：A. I. Fedotova、Yu. M. Zhuravleva、V. E. Maizlish、G. P. Shaposhnikov

  DOI：10.1134/s1070363213040257

  日期：2013.4

  Demetallation of magnesium tetra-4-morpholinyl(piperidinyl)-5-R-substituted phthalocyanines was performed to obtain the corresponding metal-free phthalocyanines. Their electronic absorption spectra were shown to depend on the nature of the solvent. It was found that both the saturated heterocycle and the oxyaryl substituent have almost no effect on the position of the absorption maximum.
• Nucleophilic substitution in 4-bromo-5-nitrophthalodinitrile: IX. Synthesis of 4-(morpholin-4-yl)-5-aryloxyphthalodinitriles and copper phthalocyanines based thereon
  作者：A. I. Fedotova、V. E. Maizlish、G. P. Shaposhnikov、C. N. Filimonov、I. G. Abramov

  DOI：10.1134/s1070363209050260

  日期：2009.5

  Nucleophilic aromatic substitution of bromine in 4-bromo-5-nitrophthalodinitrile with the morpholine residue and the subsequent substitution of nitro group with the aryloxy one yielded 4-morpholyl-5-aryloxyphthalodinitriles. From these substances octasubstituted copper phthalocyanines were synthesized, and their physicochemical properties were studied.