Fluorocyclopropenone

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: Fluorocyclopropenone
• 英文别名: 2-Fluorocycloprop-2-en-1-one；2-fluorocycloprop-2-en-1-one
• 化学式: C₃HFO
• 分子量: 72.0387
• InChiKey: YTZYQLSVJNQPMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-氟呋喃-2,5-二酮 以 various solvent(s) 为溶剂， 反应 1.0h， 生成 氟乙炔 、 Fluorocyclopropenone 、 Fluoro(ketenyl)carbene
  参考文献：
  名称：

  Matrix Isolation and ab Initio Molecular Orbital Study of Fluorocyclopropenone and Fluoro(ketenyl)carbene

  摘要：

  Irradiation of fluoromaleic anhydride (4) under matrix isolation conditions in argon produces fluoro(ketenyl)carbene (6s) and fluorocyclopropenone (7) as primary photoproducts. Fluoro(ketenyl)carbene is quickly converted to fluoroacetylene and carbon monoxide under the irradiation conditions while fluorocyclopropenone is slowly converted to the same products. The photochemical destruction of fluorocyclopropenone is greatly accelerated by using shorter wavelength irradiation. Gas phase irradiation of fluoromaleic anhydride at room temperature leads only to difluoroacetylene as does treatment of the anhydride under flash vacuum pyrolysis conditions. Ab initio calculations are reported for fluoropropadienone, fluoro(ketenyl)carbene, and fluorocyclopropenone, and the results are compared with experiment.

  DOI：

  10.1021/jo00126a024