(2R,4S,5R,6S)-5,6-dimethyl-2-(4-trifluoromethylphenyl)-tetrahydro-2H-1,3-oxazin-4-carboxylic acid | 950204-65-6

• 英文名称: (2R,4S,5R,6S)-5,6-dimethyl-2-(4-trifluoromethylphenyl)-tetrahydro-2H-1,3-oxazin-4-carboxylic acid
• 英文别名: (2R,4S,5R,6S)-5,6-dimethyl-2-(4-trifluoromethylphenyl)tetrahydro-2H-1,3-oxazine-4-carboxylic acid；(2R,4S,5R,6S)-5,6-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazinane-4-carboxylic acid
• CAS: 950204-65-6
• 化学式: C₁₄H₁₆F₃NO₃
• 分子量: 303.281
• InChiKey: ZAPRFRTWDIPXHL-RJVLYZLMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• METHOD FOR PURIFYING 4-HYDROXYISOLEUCINE
  申请人：Ajinomoto Co., Inc.

  公开号：EP2123629A1

  公开（公告）日：2009-11-25

  The present invention aims to provide a method of conveniently isolating and purifying as well as separating and removing (2S,3R,4S)-4-hydroxyisoleucine at a high purity and in a high yield. Specifically, the present invention discloses a purification method of (2S,3R,4S)-4-hydroxyisoleucine or a chemically acceptable salt thereof, which includes the following steps (a), (b) and (c): (a) a step of reacting (2S,3R,4S)-4-hydroxyisoleucine or a chemically acceptable salt thereof in a mixture with an aldehyde compound represented by the formula: Q-CHO wherein Q is an aryl group having a carbon number of 6 to 14, an alkyl group having a carbon number of 1 to 10, a cycloalkyl group having a carbon number of 3 to 10 or a 5- to 10-membered heterocyclic group, each of which optionally has substituent(s), or an equivalent form thereof to give a compound represented by the formula (1) wherein Q is as defined above, (b) a step of extracting the compound represented by the formula (1) with an organic solvent, and (c) a step of converting the compound represented by the formula (1) to (2S,3R,4S)-4-hydroxyisoleucine or a chemically acceptable salt thereof.

  本发明旨在提供一种方便地分离和纯化以及高纯度和高产率地分离和去除(2S,3R,4S)-4-羟基异亮氨酸的方法。具体而言，本发明揭示了一种(2S,3R,4S)-4-羟基异亮氨酸或其化学上可接受的盐的纯化方法，包括以下步骤(a)、(b)和(c)：(a) 在与由式Q-CHO表示的醛化合物的混合物中反应(2S,3R,4S)-4-羟基异亮氨酸或其化学上可接受的盐，其中Q是具有6至14个碳原子的芳基，具有1至10个碳原子的烷基，具有3至10个碳原子的环烷基或具有5至10个成员的杂环基，每个基可选地具有取代基，或其等效形式，以给出由式(1)表示的化合物，其中Q如上所定义，(b) 用有机溶剂提取由式(1)表示的化合物的步骤，和(c) 将由式(1)表示的化合物转化为(2S,3R,4S)-4-羟基异亮氨酸或其化学上可接受的盐的步骤。
• PURIFICATION METHOD OF 4-HYDROXYISOLEUCINE
  申请人：TOKUMASU Munetaka

  公开号：US20100048947A1

  公开（公告）日：2010-02-25

  (2S,3R,4S)-4-hydroxyisoleucine or a chemically acceptable salt thereof may be purified and separated by: (a) reacting (2S,3R,4S)-4-hydroxyisoleucine or a chemically acceptable salt thereof in a mixture with an aldehyde compound represented by formula: Q-CHO, wherein Q is an aryl group having 6 to 14 carbon atoms, an alkyl group having 1 to 10 carbon atoms, a cycloalkyl group having 3 to 10 carbon atoms, or a 5- to 10-membered heterocyclic group, each of which optionally has one or more substituents, or an equivalent form thereof to obtain a compound represented by formula (1) wherein Q is as defined above; (b) extracting the compound represented by formula (1) with an organic solvent; and (c) converting the compound represented by formula (1) to (2S,3R,4S)-4-hydroxyisoleucine or a chemically acceptable salt thereof.

  (2S,3R,4S)-4-羟基异亮氨酸或其化学可接受的盐可以通过以下步骤纯化和分离：(a)将(2S,3R,4S)-4-羟基异亮氨酸或其化学可接受的盐与一个化学式为Q-CHO的醛化合物在混合物中反应，其中Q是一个含有6到14个碳原子的芳基基团，1到10个碳原子的烷基基团，3到10个碳原子的环烷基团或5到10个成员的杂环基团，每个基团可选地具有一个或多个取代基，或其等效形式，以获得一个化学式为(1)的化合物，其中Q如上所定义；(b)用有机溶剂提取化学式为(1)的化合物；和(c)将化学式为(1)的化合物转化为(2S,3R,4S)-4-羟基异亮氨酸或其化学可接受的盐。