3-chloro-4,5-bis(phenylthio)-6-(pyridin-3-yloxy)phthalonitrile | 1160165-14-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-chloro-4,5-bis(phenylthio)-6-(pyridin-3-yloxy)phthalonitrile
• CAS: 1160165-14-9
• 化学式: C₂₅H₁₄ClN₃OS₂
• 分子量: 471.991
• InChiKey: ILJYNWXKUGZRQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.57
• 重原子数：
  32.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  69.7
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  3,6-dichloro-4,5-bis(phenylsulfanyl)phthalonitrile 、 lithium pyridin-3-olate 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 以22.3%的产率得到4,5-Bis-(phenylsulfanyl)-3,6-bis(pyridin-3-yloxy)phthalonitrile
  参考文献：
  名称：

  Phthalocyanines and related compounds: XLVIII. Stepwise nucleophilic substitution in tetrachlorophthalonitrile: Synthesis of polysubstituted phthalonitriles

  摘要：

  Chlorine-containing products of incomplete nucleophilic substitution in tetrachlorophthalonitrile were subjected to further reaction with nucleophiles. The nature of the nucleophiles and the order of their introduction into stepwise nucleophilic substitution in tetrachlorophthalonitrile were shown to be of principal importance for selective synthesis on this basis of phthalonitrile derivatives with various substituents.

  DOI：

  10.1134/s1070363208090247