1-(3,3,6,6-tetrafluoro-1,4-cyclohexyldienyl)-1-ethanone | 69291-63-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(3,3,6,6-tetrafluoro-1,4-cyclohexyldienyl)-1-ethanone
• 英文别名: Ethanone, 1-(3,3,6,6-tetrafluoro-1,4-cyclohexadien-1-yl)-；1-(3,3,6,6-tetrafluorocyclohexa-1,4-dien-1-yl)ethanone
• CAS: 69291-63-0
• 化学式: C₈H₆F₄O
• 分子量: 194.129
• InChiKey: MOBIEGFFXDOBNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  苯乙酮 在 氢氟酸 、 lead dioxide 作用下， 生成 1-(3,3,6,6-tetrafluoro-1,4-cyclohexyldienyl)-1-ethanone
  参考文献：
  名称：

  Chemistry in hydrogen fluoride. 6. Oxidative fluorination of aromatic compounds

  摘要：

  DOI：

  10.1021/jo01322a013

文献信息

• Selective Electrochemical Aromatic Fluorination of Acetophenone and Benzophenone
  作者：B. A. Shainyan、Yu. S. Danilevich、A. A. Grigor'eva、Yu. A. Chuvashev

  DOI：10.1023/b:rujo.0000013131.19936.5e

  日期：2003.11

  Electrochemical fluorination of acetofenone and benzophenone was studied in anhydrous HF and in solutions. The electrochemical fluorination of acetophenone in HF occurred exclusively in the ring and furnished ortho- and meta-isomers of fluoroacetophenone, 2,5-ditluoroacetophenone, and 1-(3,3,6,6-tetrafluoro-1,4-cyclohexadienyl)-1-ethanone. The fluorination of benzophenone in anhydrous HF furnished predominantly m-fluorobenzophenone, whereas in the presence of chloroform only chlorination products were obtained. The electrochemical fluorination of acetophenone in acetonitrile gave rise only to mono- and difluorinated products. The reasons for readily occurring oxidative fluorination of aromatic compounds into polyfluoro-1,4-cyclohexadienes were discussed, and the decomposition paths of fluorinated products under electron impact were considered.
• Chemistry in hydrogen fluoride. 6. Oxidative fluorination of aromatic compounds
  作者：A. E. Feiring

  DOI：10.1021/jo01322a013

  日期：1979.4