4-hydroxy-3-methyl-4-{4-(trifluoromethyl)phenyl}butan-2-one | 645389-14-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-hydroxy-3-methyl-4-{4-(trifluoromethyl)phenyl}butan-2-one
• 英文别名: (3R,4S)-4-hydroxy-3-methyl-4-[4-(trifluoromethyl)phenyl]butan-2-one
• CAS: 645389-14-6
• 化学式: C₁₂H₁₃F₃O₂
• 分子量: 246.229
• InChiKey: SFQXVEZATUAXKC-CPCISQLKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  对三氟甲基苯甲醛 、 丁酮 在 1-ethyl-3-methyl-1H-imidazolium trifluoromethane-sulfonate 、 L-脯氨酸 作用下， 反应 48.0h， 生成 5-hydroxy-5-{4-(trifluoromethyl)phenyl}pentan-3-one 、 5-hydroxy-5-{4-(trifluoromethyl)phenyl}pentan-3-one 、 4-hydroxy-3-methyl-4-{4-(trifluoromethyl)phenyl}butan-2-one 、 4-hydroxy-3-methyl-4-{4-(trifluoromethyl)phenyl}butan-2-one
  参考文献：
  名称：

  Synthesis of fluorinated materials catalyzed by proline or antibody 38C2 in ionic liquid

  摘要：

  The utility of reusable ionic liquid-proline (or aldolase antibody 38C2) reaction system, proceeding the aldol reactions, is described. Further. obtained alpha-chloro-beta-hydroxy compounds were transformed to the optically active alpha,beta-epoxy carbonyl compounds. The aldolase antibody 3SC2-ionic liquid system was able to reuse in Michael additions and the reaction of fluoromethylated imines. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-1139(03)00032-0

文献信息

• Synthesis of fluorinated materials catalyzed by proline or antibody 38C2 in ionic liquid
  作者：Tomoya Kitazume、Zaiju Jiang、Kana Kasai、Yuma Mihara、Mamie Suzuki

  DOI：10.1016/s0022-1139(03)00032-0

  日期：2003.6

  The utility of reusable ionic liquid-proline (or aldolase antibody 38C2) reaction system, proceeding the aldol reactions, is described. Further. obtained alpha-chloro-beta-hydroxy compounds were transformed to the optically active alpha,beta-epoxy carbonyl compounds. The aldolase antibody 3SC2-ionic liquid system was able to reuse in Michael additions and the reaction of fluoromethylated imines. (C) 2003 Elsevier Science B.V. All rights reserved.