1,1,1-trifluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)-4-heptanone

• 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-2-hydroxy-6-methyl-2-(trifluoromethyl)-4-heptanone
• 英文别名: 1,1,1-trifluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)heptan-4-one
• 化学式: C₉H₁₂F₆O₂
• 分子量: 266.183
• InChiKey: ZSXNDQFSLIBMEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-甲基-2-戊酮 、 六氟丙酮 在 硫酸 作用下， 50.0~60.0 ℃ 、500.01 kPa 条件下， 反应 5.0h， 以80%的产率得到1,1,1-trifluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)-4-heptanone
  参考文献：
  名称：

  The cross-aldol reaction of hexafluoroacetone (HFA) with ketones catalyzed by an acid

  摘要：

  The cross-aldol reactions of hexafluoroacetone (HFA) and ketones using an acid catalyst are reported. When concentrated sulfuric acid was employed as the catalyst, HFA reacted regioselectively with various ketones at 50-100 degrees C to give the aldol adducts (6) in good yields. The reaction is initiated by an acid-catalyzed transformation of the ketone into the corresponding enol that reacts with HFA. The obtained adducts (6) can be reduced with hydrogen under a Ru/C catalyst to lead to the corresponding fluorine-containing diols (13).(c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2007.03.011

文献信息

• The cross-aldol reaction of hexafluoroacetone (HFA) with ketones catalyzed by an acid
  作者：Takeo Komata、Kei Matsunaga、Yoshiki Hirotsu、Shinya Akiba、Katsuyuki Ogura

  DOI：10.1016/j.jfluchem.2007.03.011

  日期：2007.8

  The cross-aldol reactions of hexafluoroacetone (HFA) and ketones using an acid catalyst are reported. When concentrated sulfuric acid was employed as the catalyst, HFA reacted regioselectively with various ketones at 50-100 degrees C to give the aldol adducts (6) in good yields. The reaction is initiated by an acid-catalyzed transformation of the ketone into the corresponding enol that reacts with HFA. The obtained adducts (6) can be reduced with hydrogen under a Ru/C catalyst to lead to the corresponding fluorine-containing diols (13).(c) 2007 Elsevier B.V. All rights reserved.