3,4-dihydroxy-4-{3-(trifluoromethyl)phenyl}butan-2-one | 645389-28-2

• 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: 3,4-dihydroxy-4-{3-(trifluoromethyl)phenyl}butan-2-one
• 英文别名: 3,4-Dihydroxy-4-[3-(trifluoromethyl)phenyl]butan-2-one；3,4-dihydroxy-4-[3-(trifluoromethyl)phenyl]butan-2-one
• CAS: 645389-28-2
• 化学式: C₁₁H₁₁F₃O₃
• 分子量: 248.202
• InChiKey: FLRXNRUXWPIRJB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-三氟甲基苯甲醛 、 羟基丙酮 在 antibody aldolase 38C₂ 、 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate 作用下， 反应 336.0h， 生成 3,4-dihydroxy-4-{3-(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.