methyl-(S)-4-trifluoromethylmandelate

• 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: methyl-(S)-4-trifluoromethylmandelate
• 英文别名: Methyl (2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetate
• 化学式: C₁₀H₉F₃O₃
• 分子量: 234.175
• InChiKey: ANLYXIOQZYHUAE-QMMMGPOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3,6-二氢吡喃 、 methyl-(S)-4-trifluoromethylmandelate 在 4-甲基苯磺酸吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 以100%的产率得到THP-protective methyl-(S)-4-trifluoromethylmandelate
  参考文献：
  名称：

  [EN] PROCESS FOR PRODUCING OPTICALLY ACTIVE 2-ALKOXY-1-(TRIFLUOROMETHYL-SUBSTITUTED PHENYL)ETHANOL DERIVATIVES
  [FR] PROCEDE DE PRODUCTION DE DERIVES 2-ALKOXY-1-(PHENYLE A SUBSTITUTION TRIFLUOROMETHYLE)ETHANOL OPTIQUEMENT ACTIFS

  摘要：

  公开号：

  WO2004037760A3
• 作为产物：
  描述：

  甲醇 、 (S)-4-(trifluoromethyl)mandelic acid 在 硫酸 作用下， 反应 7.0h， 以87%的产率得到methyl-(S)-4-trifluoromethylmandelate
  参考文献：
  名称：

  [EN] PROCESS FOR PRODUCING OPTICALLY ACTIVE 2-ALKOXY-1-(TRIFLUOROMETHYL-SUBSTITUTED PHENYL)ETHANOL DERIVATIVES
  [FR] PROCEDE DE PRODUCTION DE DERIVES 2-ALKOXY-1-(PHENYLE A SUBSTITUTION TRIFLUOROMETHYLE)ETHANOL OPTIQUEMENT ACTIFS

  摘要：

  公开号：

  WO2004037760A3

文献信息

• Process for producing optically active 2-alkoxy-1-(trifluoromethyl-substituted phenyl) ethanol derivatives
  申请人：——

  公开号：US20040249220A1

  公开（公告）日：2004-12-09

  A process for producing an optically active 2-alkoxy-1-(trifluoromethyl-substituted phenyl)ethanol derivative represented by the formula 5: 1 where R 2 represents a C 1 -C 6 lower alkyl group, n represents 1 or 2 and * represents a chiral carbon, includes the steps of (a) reducing an optically active, hydroxyl-protective, trifluoromethyl-substituted mandelate represented by the formula 1, by a hydride reducing agent, into an optically active, hydroxyl-protective 2-hydroxy-1-(trifluoromethyl-substituted phenyl)ethanol represented by the formula 2; (b) reacting the hydroxyl-protective hydroxyethanol represented by the formula 2, with an alkylation agent represented by the formula 3, in the presence of a base, thereby producing an optically active, hydroxyl-protective 2-alkoxy-1-(trifluoromethyl-substituted phenyl)ethanol represented by the formula 4; and (c) deprotecting the hydroxyl-protective alkoxyethanol represented by the formula 4 into the alkoxyethanol derivative represented by the formula 5.
• [EN] PROCESS FOR PRODUCING OPTICALLY ACTIVE 2-ALKOXY-1-(TRIFLUOROMETHYL-SUBSTITUTED PHENYL)ETHANOL DERIVATIVES<br/>[FR] PROCEDE DE PRODUCTION DE DERIVES 2-ALKOXY-1-(PHENYLE A SUBSTITUTION TRIFLUOROMETHYLE)ETHANOL OPTIQUEMENT ACTIFS
  申请人：CENTRAL GLASS CO LTD

  公开号：WO2004037760A3

  公开（公告）日：2004-07-15