4H-6,7,8,9-Tetrafluorobenzopyrano[3,4,-d]pyrazol-4-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 4H-6,7,8,9-Tetrafluorobenzopyrano[3,4,-d]pyrazol-4-one
• 英文别名: 6,7,8,9-tetrafluoro-1H-chromeno[4,3-c]pyrazol-4-one
• 化学式: C₁₀H₂F₄N₂O₂
• 分子量: 258.132
• InChiKey: JETZVVJQFBTDCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  55
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-Carboxy-5-(2'-hydroxy-3',4',5',6'-tetrafluorophenyl)pyrazole 在 氯化亚砜 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 以86%的产率得到4H-6,7,8,9-Tetrafluorobenzopyrano[3,4,-d]pyrazol-4-one
  参考文献：
  名称：

  Saloutin; Bazyl'; Skryabina, Russian Journal of Organic Chemistry, 1997, vol. 33, # 8, p. 1167 - 1175

  摘要：

  DOI：

文献信息

• Interaction of 3-ethoxycarbonyl(carboxy)-substituted 5,6,7,8-tetrafluorochromones with N-nucleophiles: synthesis of fluorocoumarins
  作者：V.I. Saloutin、Z.E. Skryabina、I.T. Bazyl'、S.P. Kisil'

  DOI：10.1016/s0022-1139(98)00350-9

  日期：1999.2

  Polyfluorobenzopyranopyrazoles (isoxazoles) have been prepared via cyclization of 5-tetrafluorophenyl-4-ethoxycarbonyl(carboxy)pyrazoles (isoxazoles) produced by the reaction of 3-ethoxycarbonyl-2-methyl- and 3-carboxy-substituted 5,6,7,8-tetrafluorochromone with hydrazine(hydroxylamine). It has been found that 3-ethoxycarbonyl-2-methyl-5,6,7,8-tetrafluorochromone forms the corresponding 2-ethylidenamino-substituted 1,3-keto esters with ammonia and benzylamine, from which 3-ethylidenamino-4-oxy-5,6,7,8-tetrafluorocoumarins were readily obtained. In contrast to the non-fluorinated analogues, 3-ethoxycarbonyl-2-methyl-5,6,7,8-tetrafluorocoumarins were found to undergo acyl-lactone transformation into coumarin structures under acidic conditions. (C) 1999 Elsevier Science S.A. All rights reserved.
• Saloutin; Bazyl'; Skryabina, Russian Journal of Organic Chemistry, 1997, vol. 33, # 8, p. 1167 - 1175
  作者：Saloutin、Bazyl'、Skryabina、Kisil'

  DOI：——

  日期：——