tetra-4-(morpholin-4-yl)tetra-5-{[3,4'-dimethyl-(1,1'-biphenyl)-4-yl]oxy}phthalocyanine | 1441118-42-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: tetra-4-(morpholin-4-yl)tetra-5-{[3,4'-dimethyl-(1,1'-biphenyl)-4-yl]oxy}phthalocyanine
• CAS: 1441118-42-8
• 化学式: C₁₀₄H₉₄N₁₂O₈
• 分子量: 1639.97
• InChiKey: CAEAPWXDKXCIBH-UHFFFAOYSA-N

物化性质

• 密度：
  1.296±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  22.52
• 重原子数：
  124.0
• 可旋转键数：
  16.0
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  195.72
• 氢给体数：
  2.0
• 氢受体数：
  18.0

反应信息

• 作为产物：
  描述：

  4-(morpholin-4-yl)tetra-5-{[3,4'-dimethyl(1,1'-biphenyl)-4-yl]oxy}phthalonitrile 在 magnesium(II) acetate tetrahydrate 、 尿素 作用下， 反应 2.0h， 以48%的产率得到tetra-4-(morpholin-4-yl)tetra-5-{[3,4'-dimethyl-(1,1'-biphenyl)-4-yl]oxy}phthalocyanine
  参考文献：
  名称：

  Synthesis and properties of tetra-4-morpholinyl(piperidinyl)-5-R-substituted phthalocyanines

  摘要：

  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.

  DOI：

  10.1134/s1070363213040257