4-(1-naphthyloxy)-5-nitrophthalodinitrile | 329326-23-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(1-naphthyloxy)-5-nitrophthalodinitrile
• 英文别名: 4-naphthoxy-5-nitrophthalonitrile；5-nitro-4-(1-naphthoxy)phthalodinitrile；2-Cyano-4-(1-naphthyloxy)-5-nitrophenyl cyanide；4-naphthalen-1-yloxy-5-nitrobenzene-1,2-dicarbonitrile
• CAS: 329326-23-0
• 化学式: C₁₈H₉N₃O₃
• 分子量: 315.288
• InChiKey: WQFKMSNYUJZLTC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  103
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  lutetium(III) chloride 、 4-(1-naphthyloxy)-5-nitrophthalodinitrile 以 neat (no solvent) 为溶剂， 反应 1.0h， 以63%的产率得到
  参考文献：
  名称：

  Complexes of Erbium and Lutetium of Different Compositions with 4-R-5-Nitro-substituted Phthalocyanines

  摘要：

  Metal complexes (metal: ligand = 1 : 1) have been obtained via the reaction of 4-R-5-nitrophthalonitriles with erbium and lutetium acetates and chlorides. 1 : 2 heteroleptic complexes have been synthesized based on them, containing unsubstituted and octasubstituted phthalocyanine ligands at the metal atom. The products have been characterized by a set of physico-chemical methods.

  DOI：

  10.1134/s1070363220010181
• 作为产物：
  描述：

  萘酚 、 4-溴-5-硝基-1,2-苯二甲腈 在 lithium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 反应 168.0h， 以62%的产率得到4-(1-naphthyloxy)-5-nitrophthalodinitrile
  参考文献：
  名称：

  Shishkina; Maizlish; Kudrik, Russian Journal of General Chemistry, 2000, vol. 70, # 5, p. 761 - 763

  摘要：

  DOI：

文献信息

• Shishkina; Maizlish; Shaposhnikov, Russian Journal of General Chemistry, 2000, vol. 70, # 6, p. 937 - 939
  作者：Shishkina、Maizlish、Shaposhnikov、Smirnov

  DOI：——

  日期：——
• Complexes of Erbium and Lutetium of Different Compositions with 4-R-5-Nitro-substituted Phthalocyanines
  作者：T. A. Rumyantseva、E. S. Tarasova、E. S. Maltseva、G. P. Shaposhnikov

  DOI：10.1134/s1070363220010181

  日期：2020.1

  Metal complexes (metal: ligand = 1 : 1) have been obtained via the reaction of 4-R-5-nitrophthalonitriles with erbium and lutetium acetates and chlorides. 1 : 2 heteroleptic complexes have been synthesized based on them, containing unsubstituted and octasubstituted phthalocyanine ligands at the metal atom. The products have been characterized by a set of physico-chemical methods.
• Shishkina; Maizlish; Kudrik, Russian Journal of General Chemistry, 2000, vol. 70, # 5, p. 761 - 763
  作者：Shishkina、Maizlish、Kudrik、Shaposhnikov、Smirnov

  DOI：——

  日期：——