2-(3,4-二氰基苯氧基)乙酸乙酯 | 194425-65-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(3,4-二氰基苯氧基)乙酸乙酯
• 英文名称: ethyl (3,4-dicyanophenoxy)acetate
• 英文别名: Ethyl (3,4-dicyanophenoxy)acetate；ethyl 2-(3,4-dicyanophenoxy)acetate
• CAS: 194425-65-5
• 化学式: C₁₂H₁₀N₂O₃
• 分子量: 230.223
• InChiKey: ZUNKQZLMIFINMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  83.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  乙醇酸乙酯 、 4-硝基邻苯二甲腈 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 以63.7%的产率得到2-(3,4-二氰基苯氧基)乙酸乙酯
  参考文献：
  名称：

  Investigation of synthetic pathways of carboxylic acid phthalocyanines from glycolic and lactic acids

  摘要：

  We present the study of synthetic pathways to prepare carboxylic acid substituted phthalocyanines from glycolic and lactic acids. Hydroquinone was used as an alternative catalyst for cyclotetramerization reaction of metal free and zinc phthalocyanines, which were characterized by H-1 MR spectroscopy, infrared absorption and mass analysis. The photophysical and photochemical properties in dimethyl sulfoxide (DMSO) were analyzed. We verified that the presence of the methyl radical group, that distinguish both structures, diminish the macrocycle aggregation in solution and promote higher quantum yields of fluorescence and for singlet oxygen generation. (C) 2017 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2017.07.053