4-(3,4-dimethylphenoxy)-5-nitrophthalodinitrile

• 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-(3,4-dimethylphenoxy)-5-nitrophthalodinitrile
• 英文别名: 4-(3,4-Dimethylphenoxy)-5-nitrobenzene-1,2-dicarbonitrile
• 化学式: C₁₆H₁₁N₃O₃
• mdl: MFCD01883334
• 分子量: 293.282
• InChiKey: USTUQXWWWYOXGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 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：

  对硝基苯酚 、 4-(3,4-dimethylphenoxy)-5-nitrophthalodinitrile 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以56%的产率得到4-(3,4-dimethylphenoxy)-5-(4-nitrophenoxy)phthalodinitrile
  参考文献：
  名称：

  摘要：

  4-(3,4-Dimethylphenoxy)-5-(4-nitrophenoxy)phthalodinitrile was prepared by stepwise nucleophilic substitution of bromine and then the nitro group in 4-bromo-5-nitrophthalodinitrile by the substituted phenoxy groups and was converted to the corresponding octasubstituted copper phthalocyanine by the reaction with copper acetate. The spectroscopic and mesomorphic properties of the resulting complex were studied. It exhibits thermotropic mesomorphism and forms an M phase in the range 85-155degreesC.

  DOI：

  10.1023/a:1021698417760
• 作为产物：
  描述：

  3,4-二甲基苯酚 、 4-溴-5-硝基-1,2-苯二甲腈 在 potassium carbonate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 以74%的产率得到4-(3,4-dimethylphenoxy)-5-nitrophthalodinitrile
  参考文献：
  名称：

  摘要：

  4-(3,4-Dimethylphenoxy)-5-(4-nitrophenoxy)phthalodinitrile was prepared by stepwise nucleophilic substitution of bromine and then the nitro group in 4-bromo-5-nitrophthalodinitrile by the substituted phenoxy groups and was converted to the corresponding octasubstituted copper phthalocyanine by the reaction with copper acetate. The spectroscopic and mesomorphic properties of the resulting complex were studied. It exhibits thermotropic mesomorphism and forms an M phase in the range 85-155degreesC.

  DOI：

  10.1023/a:1021698417760

文献信息

• ——
  作者：V. E. Maizlish、S. A. Ivanovskii、G. P. Shaposhnikov、I. G. Abramov、A. V. Smirnov、V. V. Bykova、N. V. Usol'tseva

  DOI：10.1023/a:1021698417760

  日期：——

  4-(3,4-Dimethylphenoxy)-5-(4-nitrophenoxy)phthalodinitrile was prepared by stepwise nucleophilic substitution of bromine and then the nitro group in 4-bromo-5-nitrophthalodinitrile by the substituted phenoxy groups and was converted to the corresponding octasubstituted copper phthalocyanine by the reaction with copper acetate. The spectroscopic and mesomorphic properties of the resulting complex were studied. It exhibits thermotropic mesomorphism and forms an M phase in the range 85-155degreesC.