2,6-dicyano-5-(4-fluorophenyl)-3-(4-methyloxycarbonylphenyl)aniline

• 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: 2,6-dicyano-5-(4-fluorophenyl)-3-(4-methyloxycarbonylphenyl)aniline
• 英文别名: Methyl 4-[3-amino-2,4-dicyano-5-(4-fluorophenyl)phenyl]benzoate
• 化学式: C₂₂H₁₄FN₃O₂
• 分子量: 371.37
• InChiKey: DAMJACSXUFVFGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  99.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  sodium methylate 、 4-氟苯乙酮 、 丙二腈 、 alkaline earth salt of/the/ methylsulfuric acid 在 ammonium acetate 作用下， 以 甲醇 为溶剂， 反应 6.03h， 以77%的产率得到2,6-dicyano-5-(4-fluorophenyl)-3-(4-methyloxycarbonylphenyl)aniline
  参考文献：
  名称：

  Parallel Synthesis of Strongly Fluorescent Polysubstituted 2,6-Dicyanoanilines via Microwave-Promoted Multicomponent Reaction

  摘要：

  A facile parallel synthesis of polysubstituted 2,6-dicyanoanilines via microwave-promoted three-component reaction of aldehydes, ketones, and propanedinitrile in solution and also on polymer support has been developed. The screening for optical properties identified two new compounds with high fluorescence quantum yields.

  DOI：

  10.1021/jo047823h

文献信息

• Parallel Synthesis of Strongly Fluorescent Polysubstituted 2,6-Dicyanoanilines via Microwave-Promoted Multicomponent Reaction
  作者：Sun-Liang Cui、Xu-Feng Lin、Yan-Guang Wang

  DOI：10.1021/jo047823h

  日期：2005.4.1

  A facile parallel synthesis of polysubstituted 2,6-dicyanoanilines via microwave-promoted three-component reaction of aldehydes, ketones, and propanedinitrile in solution and also on polymer support has been developed. The screening for optical properties identified two new compounds with high fluorescence quantum yields.