4-(morpholin-4-yl)-5-(1-naphthyloxy)phthalodinitrile | 1019061-58-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(morpholin-4-yl)-5-(1-naphthyloxy)phthalodinitrile
• 英文别名: 2-Cyano-4-morpholino-5-(1-naphthyloxy)phenyl cyanide；4-morpholin-4-yl-5-naphthalen-1-yloxybenzene-1,2-dicarbonitrile
• CAS: 1019061-58-5
• 化学式: C₂₂H₁₇N₃O₂
• 分子量: 355.396
• InChiKey: UXRSZYYHNWXJRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.21
• 重原子数：
  27.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  69.28
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  4-(morpholin-4-yl)-5-(1-naphthyloxy)phthalodinitrile 在 copper(II) acetate monohydrate 、 尿素 作用下， 反应 2.0h， 以49%的产率得到copper tetra-4-(morpholin-4-yl)-tetra-5-(1-naphthyloxy)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：

  萘酚 、 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)-5-(1-naphthyloxy)phthalodinitrile
  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