(S)-3,3,3-trifluoro-2-hydroxy-2-(hydroxymethyl)propyl butanoate | 960249-83-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (S)-3,3,3-trifluoro-2-hydroxy-2-(hydroxymethyl)propyl butanoate
• 英文别名: (S)-3,3,3-Trifluoro-2-hydroxy-2-(hydroxymethyl)Propyl butanoate；[(2S)-3,3,3-trifluoro-2-hydroxy-2-(hydroxymethyl)propyl] butanoate
• CAS: 960249-83-6
• 化学式: C₈H₁₃F₃O₄
• 分子量: 230.184
• InChiKey: WCRBGQMJXNHSNO-ZETCQYMHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (S)-3,3,3-trifluoro-2-hydroxy-2-(hydroxymethyl)propyl butanoate 在 吡啶 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 (S)-3,3,3-trifluoro-2-hydroxy-2-(((phenylmethyl)amino)methyl)propyl butanoate
  参考文献：
  名称：

  WO2007/144327

  摘要：

  公开号：
• 作为产物：
  描述：

  正丁酸乙烯酯 、 2-(trifluoromethyl)-1,2,3-propanetriol 在 Lipase Amano PS 4 A molecular sieve 作用下， 以 甲基叔丁基醚 为溶剂， 反应 21.5h， 生成 (S)-3,3,3-trifluoro-2-hydroxy-2-(hydroxymethyl)propyl butanoate
  参考文献：
  名称：

  WO2007/144327

  摘要：

  公开号：

文献信息

• NOVEL COMPOUNDS
  申请人：Barnett Heather Anne

  公开号：US20100234441A1

  公开（公告）日：2010-09-16

  The present invention provides compounds of formula (I): a process for their preparation, to pharmaceutical compositions comprising the compounds and the preparation of said compositions, to intermediates and to use of the compounds for the manufacture of a medicament for therapeutic treatment, particularly for the treatment of inflammation, allergy and/or autoimmune conditions.

  本发明提供了式（I）的化合物，其制备过程，包括化合物的制剂和制备该制剂的制备方法，中间体以及化合物用于制备治疗药物，特别是用于治疗炎症，过敏和/或自身免疫疾病的用途。
• Non-Steroidal Glucocorticoid Inhibitors and Their Use in Treating Inflammation, Allergy and Auto-Immune Conditions
  申请人：BARNETT Heather Anne

  公开号：US20120277279A1

  公开（公告）日：2012-11-01

  The present invention provides compounds of formula (I): a process for their preparation, to pharmaceutical compositions comprising the compounds and the preparation of said compositions, to intermediates and to use of the compounds for the manufacture of a medicament for therapeutic treatment, particularly for the treatment of inflammation, allergy and/or auto-immune conditions.

  本发明提供了式（I）的化合物：它们的制备方法，包括这些化合物的制剂以及该制剂的制备方法，中间体以及使用这些化合物制造治疗药物，特别是用于治疗炎症，过敏和/或自身免疫疾病。
• Non-steroidal glucocorticoid inhibitors and their use in treating inflammation, allergy and auto-immune conditions
  申请人：Glaxo Group Limited

  公开号：US08247377B2

  公开（公告）日：2012-08-21

  The present invention provides compounds of formula (I): a process for their preparation, to pharmaceutical compositions comprising the compounds and the preparation of said compositions, to intermediates and to use of the compounds for the manufacture of a medicament for therapeutic treatment, particularly for the treatment of inflammation, allergy and/or autoimmune conditions.

  本发明提供了式（I）的化合物，以及它们的制备方法，包括含有该化合物的药物组合物的制备方法，中间体的制备和使用该化合物制造治疗药物，特别是用于治疗炎症，过敏和/或自身免疫疾病的药物。
• WO2008/777
  申请人：——

  公开号：——

  公开（公告）日：——
• Efficient synthesis of an α-trifluoromethyl-α-tosyloxymethyl epoxide enabling stepwise double functionalisation to afford CF3-substituted tertiary alcohols
  作者：Steven P. Keeling、Ian B. Campbell、Diane M. Coe、Tony W.J. Cooper、George W. Hardy、Torquil I. Jack、Haydn T. Jones、Deborah Needham、Tracy J. Shipley、Philip A. Skone、Peter W. Sutton、Gordon A. Weingarten、Simon J.F. Macdonald

  DOI：10.1016/j.tetlet.2008.06.011

  日期：2008.8

  The efficient synthesis of an alpha-trifluoromethyl-alpha-tosyloxymethyl epoxide is reported. This highly versatile building block may be reacted sequentially with two different nucleophiles to furnish alpha-trifluoromethyl tertiary alcohols. Furthermore, the two enantiomers of this key intermediate have been separated using chiral HPLC and the stereochemistry shown to be conserved during subsequent chemical manipulations. Finally, an enzyme-driven desymmetrisation approach has been successfully employed to confer chirality on an intermediate in the sequence. (c) 2008 Elsevier Ltd. All rights reserved.