2,3,5,6-tetrafluoro-4-((3-methyl-1-phenyl-1H-pyrazol-5-yl)oxy)benzonitrile

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2,3,5,6-tetrafluoro-4-((3-methyl-1-phenyl-1H-pyrazol-5-yl)oxy)benzonitrile
• 英文别名: 2,3,5,6-Tetrafluoro-4-(5-methyl-2-phenylpyrazol-3-yl)oxybenzonitrile；2,3,5,6-tetrafluoro-4-(5-methyl-2-phenylpyrazol-3-yl)oxybenzonitrile
• 化学式: C₁₇H₉F₄N₃O
• 分子量: 347.272
• InChiKey: YBYOLEYCVKQBBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  50.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  苯肼 在 caesium carbonate 、 溶剂黄146 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 2,3,5,6-tetrafluoro-4-((3-methyl-1-phenyl-1H-pyrazol-5-yl)oxy)benzonitrile
  参考文献：
  名称：

  Base initiated aromatization/C O bond formation: a new entry to O-pyrazole polyfluoroarylated ethers

  摘要：

  A base initiated intermolecular SNAr reaction of pyrazolones with polyfluoroarenes was developed. The process involved the isomerization aromatization of pyrazolone followed by the C-O bond formation via the selective C-F bond cleavage. With this strategy, a wide range of O-pyrazole polyfluoroarylated ethers bearing diverse functional groups were synthesized in mild to good yields. Additionally, our method was also applied to the isoxazol substrates. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.09.129