1,1,1-trifluoro-3-trifluoromethyl-hex-5-en-2-one | 18448-18-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,1,1-trifluoro-3-trifluoromethyl-hex-5-en-2-one
• 英文别名: 1,1,1-Trifluoro-3-(trifluoromethyl)-5-hexen-2-one；1,1,1-trifluoro-3-(trifluoromethyl)hex-5-en-2-one
• CAS: 18448-18-5
• 化学式: C₇H₆F₆O
• 分子量: 220.114
• InChiKey: AJFWSUIHFMXWBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  (Z-1-trifluoromethyl-3,3,3-trifluoroprop-1-enyl)prop-2-enyl ether 反应 24.0h， 生成 1,1,1-trifluoro-3-trifluoromethyl-hex-5-en-2-one
  参考文献：
  名称：

  Cycloadditions and nucleophilic attack on Z-2H-heptafluorobut-2-ene

  摘要：

  Chemistry of Z-2H-Heptafluorobut-2-ene 1 is surveyed; cycloaddition reactions occur with a variety of benzenoid compounds, in some cases leading directly to aromatics. Addition to cyclopentadiene, followed by eliminations of hydrogen fluoride and ethyne, lead to isomeric bistrifluoromethylcyclopentadienes. Nucleophilic reactions occur readily with oxygen, nitrogen and sulphur nucleophiles and aniline provides a quinoline synthesis. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00201-4

文献信息

• Negative substituents in the claisen rearrangement
  作者：C.G. Krespan

  DOI：10.1016/s0040-4020(01)88821-9

  日期：1967.1

  instances of the Claisen rearrangement are demonstrated with allyl vinyl ethers in which the vinyl segment is heavily substituted with negative groups. With fluoro, fluoroalkyl, chloro and alkoxy as negative substituents, these reactions proceed with unusual ease at 25–100°. A related isomerization of a propargyl vinyl ether to an allenyl ketone is also described.

  用烯丙基乙烯基醚证明了克莱森重排的几种情况，其中乙烯基链段被负基团严重取代。用氟，氟烷基，氯和烷氧基作为负取代基，这些反应在25–100°的温度下异常容易地进行。还描述了炔丙基乙烯基醚到烯丙基酮的相关异构化。
• Cycloadditions and nucleophilic attack on Z-2H-heptafluorobut-2-ene
  作者：Richard D. Chambers、Andrew R. Edwards

  DOI：10.1016/s0040-4020(98)00201-4

  日期：1998.5

  Chemistry of Z-2H-Heptafluorobut-2-ene 1 is surveyed; cycloaddition reactions occur with a variety of benzenoid compounds, in some cases leading directly to aromatics. Addition to cyclopentadiene, followed by eliminations of hydrogen fluoride and ethyne, lead to isomeric bistrifluoromethylcyclopentadienes. Nucleophilic reactions occur readily with oxygen, nitrogen and sulphur nucleophiles and aniline provides a quinoline synthesis. (C) 1998 Elsevier Science Ltd. All rights reserved.