4-(4-phenoxyphenoxy)phthalonitrile | 138831-38-6

• 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-(4-phenoxyphenoxy)phthalonitrile
• 英文别名: 4-(4-Phenoxyphenoxy)benzene-1,2-dicarbonitrile
• CAS: 138831-38-6
• 化学式: C₂₀H₁₂N₂O₂
• 分子量: 312.327
• InChiKey: GACAVLJBVAHSML-UHFFFAOYSA-N

物化性质

• 熔点：
  110-112 °C(Solv: ethanol (64-17-5))
• 沸点：
  493.3±45.0 °C(Predicted)
• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  66
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-硝基邻苯二甲腈 、 4-苯氧基苯酚 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 以62%的产率得到4-(4-phenoxyphenoxy)phthalonitrile
  参考文献：
  名称：

  Microwave-assisted synthesis and characterization of a new metal-free and metallophthalocyanines

  摘要：

  Dinitrile monomer (3) was synthesized by nucleophilic aromatic substitution of 4-phenoxyphenol (1) with 4-nitrophthalonitrile (2). The metal-free phthalocyanine (4) was prepared by the reaction of dinitrile monomer (3) with DMAE. Ni(II), Co(II), and Zn(II) metallophthalocyanines were prepared by the reaction of 3 with chlorides of Ni(II), Co(II), and Zn(II) in DMAE. The new compounds were characterized by IR, 1H- and 13C-NMR, UV-Vis, elemental analysis, and MS specral data.

  DOI：

  10.1080/00958971003645953

文献信息

• US5061388A
  申请人：——

  公开号：US5061388A

  公开（公告）日：1991-10-29
• US5118431A
  申请人：——

  公开号：US5118431A

  公开（公告）日：1992-06-02
• Microwave-assisted synthesis and characterization of a new metal-free and metallophthalocyanines
  作者：Meltem B. Kılıçaslan、Fatma Ağın、Halit Kantekin

  DOI：10.1080/00958971003645953

  日期：2010.3.10

  Dinitrile monomer (3) was synthesized by nucleophilic aromatic substitution of 4-phenoxyphenol (1) with 4-nitrophthalonitrile (2). The metal-free phthalocyanine (4) was prepared by the reaction of dinitrile monomer (3) with DMAE. Ni(II), Co(II), and Zn(II) metallophthalocyanines were prepared by the reaction of 3 with chlorides of Ni(II), Co(II), and Zn(II) in DMAE. The new compounds were characterized by IR, 1H- and 13C-NMR, UV-Vis, elemental analysis, and MS specral data.