3-(3,4,5,6-tetrafluoro-2-hydroxybenzoylmethylene)piperazin-2-one | 161037-51-0

• 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: 3-(3,4,5,6-tetrafluoro-2-hydroxybenzoylmethylene)piperazin-2-one
• 英文别名: 3-(2-Hydroxy-3,4,5,6-tetrafluorobenzoylmethylene)-piperazin-2-one；3-[2-oxo-2-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)ethylidene]piperazin-2-one
• CAS: 161037-51-0
• 化学式: C₁₂H₈F₄N₂O₃
• 分子量: 304.201
• InChiKey: SSYHHFBBONJPSB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  78.4
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3-(3,4,5,6-tetrafluoro-2-hydroxybenzoylmethylene)piperazin-2-one 在 盐酸 作用下， 以 溶剂黄146 为溶剂， 反应 15.0h， 以55%的产率得到5,6,7,8-Tetrafluoro-2-carboxy-4H-chromen-2-one
  参考文献：
  名称：

  Reactions of 2-ethoxycarbonyl(carboxy)-5,6,7,8-tetrafluorochromones with N-nucleophiles

  摘要：

  The direction of reactions of 2-ethoxycarbonyl-5,6,7,8-tetrafluoro- and 2-carboxy-5,6,7,8-tetrafluorochromones with ammonia, methylamine, hexylamine, and aniline depends on the inductive effect of the substituent at position C-2 of the chromone and on the basicity of the amine. Nucleophilic aromatic substitution of a fluorine atom takes place in the interaction of 2-ethoxycarbonyl-5,6,7,8-tetrafluorochrome with secondary amines (morpholine, N-methylpiperazine) and ethylenediamine.

  DOI：

  10.1007/bf00717353
• 作为产物：
  描述：

  五氟苯甲酰丙酮酸乙酯 在 ammonium hydroxide 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 4.0h， 生成 3-(3,4,5,6-tetrafluoro-2-hydroxybenzoylmethylene)piperazin-2-one
  参考文献：
  名称：

  Reactions of 2-ethoxycarbonyl(carboxy)-5,6,7,8-tetrafluorochromones with N-nucleophiles

  摘要：

  The direction of reactions of 2-ethoxycarbonyl-5,6,7,8-tetrafluoro- and 2-carboxy-5,6,7,8-tetrafluorochromones with ammonia, methylamine, hexylamine, and aniline depends on the inductive effect of the substituent at position C-2 of the chromone and on the basicity of the amine. Nucleophilic aromatic substitution of a fluorine atom takes place in the interaction of 2-ethoxycarbonyl-5,6,7,8-tetrafluorochrome with secondary amines (morpholine, N-methylpiperazine) and ethylenediamine.

  DOI：

  10.1007/bf00717353

文献信息

• Reactions of 2-ethoxycarbonyl(carboxy)-5,6,7,8-tetrafluorochromones with N-nucleophiles
  作者：V. I. Saloutin、I. T. Bazyl'、Z. E. Skryabina、O. N. Chupakhin

  DOI：10.1007/bf00717353

  日期：1994.5

  The direction of reactions of 2-ethoxycarbonyl-5,6,7,8-tetrafluoro- and 2-carboxy-5,6,7,8-tetrafluorochromones with ammonia, methylamine, hexylamine, and aniline depends on the inductive effect of the substituent at position C-2 of the chromone and on the basicity of the amine. Nucleophilic aromatic substitution of a fluorine atom takes place in the interaction of 2-ethoxycarbonyl-5,6,7,8-tetrafluorochrome with secondary amines (morpholine, N-methylpiperazine) and ethylenediamine.