[(3R)-3-hydroxybutyl] acetate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [(3R)-3-hydroxybutyl] acetate
• 化学式: C₆H₁₂O₃
• 分子量: 132.159
• InChiKey: KLUHZXMBIDAHSJ-RXMQYKEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [(3R)-3-hydroxybutyl] acetate 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 生成 [(3R)-3-[4-[(E)-2-[3,5-bis[[(1R)-3-acetoxy-1-methylpropoxy]carbonyloxy]phenyl]vinyl]phenoxy]carbonyloxybutyl] acetate
  参考文献：
  名称：

  [EN] MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME
  [FR] AGENTS MULTIBIOTIQUES ET PROCÉDÉS D'UTILISATION DE CEUX-CI

  摘要：

  公开号：

  WO2018226732A8
• 作为产物：
  描述：

  (R)-(-)-1,3-丁二醇 、 乙酸酐 在 吡啶 作用下， 反应 12.0h， 以35.8%的产率得到[(3R)-3-hydroxybutyl] acetate
  参考文献：
  名称：

  [EN] MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME
  [FR] AGENTS MULTIBIOTIQUES ET PROCÉDÉS D'UTILISATION DE CEUX-CI

  摘要：

  公开号：

  WO2018226732A8

文献信息

• Active agents and methods of their use for the treatment of metabolic disorders and nonalcoholic fatty liver disease
  申请人：Flagship Pioneering Innovations V, Inc.

  公开号：US10953027B2

  公开（公告）日：2021-03-23

  Disclosed herein are active agents, compositions containing them, unit dosage forms containing them, and methods of their use, e.g., for treating a metabolic disorder or nonalcoholic fatty liver disease or for modulating a metabolic marker or nonalcoholic fatty liver disease marker.

  本文公开了活性剂、含有活性剂的组合物、含有活性剂的单位剂型以及活性剂的使用方法，例如用于治疗代谢紊乱或非酒精性脂肪肝或调节代谢标志物或非酒精性脂肪肝标志物。
• [EN] MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME<br/>[FR] AGENTS MULTIBIOTIQUES ET PROCÉDÉS D'UTILISATION DE CEUX-CI
  申请人：FLAGSHIP PIONEERING INNOVATIONS V INC

  公开号：WO2018226732A8

  公开（公告）日：2019-01-17
• Lipase mediated resolution of 1,3-butanediol derivatives: chiral building blocks for pheromone enantiosynthesis. Part 3
  作者：Isidoro Izquierdo、Marı́a T. Plaza、Miguel Rodrı́guez、Juan A. Tamayo、Alicia Martos

  DOI：10.1016/s0957-4166(01)00038-6

  日期：2001.2

  (R,S)-1,3-butanediol 5 was kinetically resolved by enzymatic acetylation with vinyl acetate under the presence of Chirazyme (TM) L-2, c-f, yielding (S)-1-O-acetyl-1,3-hydroxybutane 6 and (R)-1,3-di-O-acetyl-1,3-butanediol 7 with enantiomeric excesses of 91%, (E=67.3). Compounds 6 and 7 were easily transformed into the corresponding (S)-3-O-(2-methoxyethoxymethyl)-3-hydroxybutanal 10 and (R)-3-benzyloxybutanal 19, through a protection-deprotection and functional group interchange methodology. Subsequent reaction of 10 and 19 with 3-(methoxycarbonlypropionyl-methylene)triphenylphosphorane afforded methyl (E,S)-8-O-(2-methoxyethoxymethyl)-4-oxo-5-nonenoate 12 and (E,R)-8-benzyl-oxy-4-oxo-5-nonenoate 20. The alkenes 19 and 20 were then catalytically hydrogenated to the corresponding saturated eaters 13 and 21. Treatment of 13 and 21 with 1,2-ethanedithiol/F3B . OEt2 afforded dithioketals 14 and 22, which were respectively reduced to (S)-1,8-dihydroxy-4-nonanone ethylidenedithioketal 15 and (R)-8-O-benzyl-1,8-dihydroxy-4-nonanone ethylidenedithioketal 23. Finally, deprotection of 15 by catalytic hydrogenation under acidic conditions gave the expected (5S,7S)-(-)-7-methy1-1,6-dioxaspiro[4.5]decane 1. The (5R,7R)-(+)-1 enantiomer was analogously prepared fi om 23. Both compounds were formed by this procedure with an e.e. of 91%. (C) 2001 Elsevier Science Ltd. All rights reserved.
• MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME
  申请人：Flagship Pioneering Innovations V, Inc.

  公开号：EP3634430A1

  公开（公告）日：2020-04-15
• ACYLATED CATECHIN POLYPHENOLS AND METHODS OF THEIR USE FOR THE TREATMENT OF CANCER
  申请人：Flagship Pioneering Innovations V, Inc.

  公开号：EP3801587A1

  公开（公告）日：2021-04-14