2-丁酮,1-(4-氯苯氧基)-3,3-二甲基-1-(1H-1,2,4-三唑-1-基)-,混合α-(2-(4-氯苯基)乙基)-α-(1,1-二甲基乙基)-1H-1,2,4-三唑-1-乙醇 | 71932-22-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: 2-丁酮,1-(4-氯苯氧基)-3,3-二甲基-1-(1H-1,2,4-三唑-1-基)-,混合α-(2-(4-氯苯基)乙基)-α-(1,1-二甲基乙基)-1H-1,2,4-三唑-1-乙醇
• 英文名称: Indol-3-yllactic acid
• 英文别名: 2-hydroxy-2-(1H-indol-3-yl)propanoic acid
• CAS: 71932-22-4
• 化学式: C₁₁H₁₁NO₃
• 分子量: 205.21
• InChiKey: XJHCBGWCPZAWAH-UHFFFAOYSA-N

物化性质

• 沸点：
  472.6±30.0 °C(Predicted)
• 密度：
  1.423±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  73.3
• 氢给体数：
  3
• 氢受体数：
  3

文献信息

• Production of alpha-hydroxy-carboxylic acids using a coupled enzyme system
  申请人：——

  公开号：US20040053382A1

  公开（公告）日：2004-03-18

  An economical and expedient method is disclosed for the preparation of &agr;-hydroxy-carboxylic acids or salts thereof in very high enantiomeric purity which comprises oxidizing a corresponding &agr;-amino-carboxylic acid or salt thereof using an amino acid deaminase followed by reducing the corresponding &agr;-keto-carboxylic acid or salt produced using a D- or L-lactate dehydrogenase in the combination with an electron donor and an enzyme/substrate system for recycling the electron donor. The resulting &agr;-hydroxy-carboxylic acids, hydrates, and salts thereof are valuable components and intermediates in the preparation of chiral compounds, especially pharmaceuticals. This invention also relates to the use of &agr;-amino-carboxylic acids, hydrates, and salts thereof and a coupled enzyme system in the production of &agr;-hydroxy-carboxylic acids, hydrates, and salts thereof.

  本发明公开了一种经济、便捷的方法，用于制备对映体纯度极高的&agr;-羟基羧酸或其盐，该方法包括使用氨基酸脱氨酶氧化相应的&agr;-氨基羧酸或其盐，然后使用D-或L-乳酸脱氢酶还原相应的&agr;-酮羧酸或其盐，该酶与电子供体和用于回收电子供体的酶/底物系统结合使用。生成的&agr;-羟基羧酸、水合物及其盐是制备手性化合物，特别是药物的重要成分和中间体。本发明还涉及&agr;-氨基羧酸、其水合物和盐以及耦合酶系统在生产&agr;-羟基羧酸、其水合物和盐中的应用。
• PRODUCTION OF g(a)-HYDROXY-CARBOXYLIC ACIDS USING A COUPLED ENZYME SYSTEM
  申请人：PCBU Services, Inc.

  公开号：EP1326993A2

  公开（公告）日：2003-07-16
• PRODUCTION OF ALPHA-HYDROXY-CARBOXYLIC ACIDS USING A COUPLED ENZYME SYSTEM
  申请人：Excelsyn Molecular Development Limited

  公开号：EP1326993B1

  公开（公告）日：2007-05-23
• [EN] PRODUCTION OF alpha -HYDROXY-CARBOXYLIC ACIDS USING A COUPLED ENZYME SYSTEM<br/>[FR] PRODUCTION D'ACIDES alpha -HYDROXY-CARBOXYLIQUES A L'AIDE D'UN SYSTEME D'ENZYME COUPLE
  申请人：PCBU SERVICES INC

  公开号：WO2002033110A2

  公开（公告）日：2002-04-25

  An economical and expedient method is disclosed for the preparation of α-hydroxy-carboxylic acids or salts thereof in very high enantiomeric purity which comprises oxidizing a corresponding α-amino-carboxylic acid or salt thereof using an amino acid deaminase followed by reducing the corresponding α-keto-carboxylic acid or salt produced using a D- or L- lactate dehydrogenase in the combination with an electron donor and an enzyme/substrate system for recycling the electron donor. The resulting α-hydroxy-carboxylic acids, hydrates, and salts thereof are valuable components and intermediates in the preparation of chiral compounds, especially pharmaceuticals. This invention also relates to the use of α-amino-carboxylic acids, hydrates, and salts thereof and a coupled enzyme system in the production of α-hydroxy-carboxylic acids, hydrates, and salts thereof.