2'-propenyl 3-hydroxybutanoate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 英文名称: 2'-propenyl 3-hydroxybutanoate
• 英文别名: (s)-Allyl-3-hydroxybutanoate；prop-2-enyl (3S)-3-hydroxybutanoate
• 化学式: C₇H₁₂O₃
• 分子量: 144.17
• InChiKey: FOCSDZKINLISTL-LURJTMIESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  乙酰乙酸烯丙酯 在 Rhizopus arrhizus culture 作用下， 以 乙醇 为溶剂， 反应 192.0h， 生成 2'-propenyl 3-hydroxybutanoate 、 2'-propenyl 3-hydroxybutanoate
  参考文献：
  名称：

  Rhizopus arrhizus mediated asymmetric reduction of alkyl 3-oxobutanoates

  摘要：

  Alkyl 3-oxobutanoates (alkyl: methyl, ethyl, allyl, isobutyl, t-butyl) were reduced enantio selectively to the corresponding (S)-alcohols by the fungus Rhizopus arrhizus and other Rhizopus sp. The best result obtained was with t-butyl 3-oxobutanoate, which was reduced by R. arrhizus with 99% enantiomeric excess and similar to68% isolated yield. (C) 2004 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetasy.2004.09.026

文献信息

• Rhizopus arrhizus mediated asymmetric reduction of alkyl 3-oxobutanoates
  作者：Neeta A. Salvi、Subrata Chattopadhyay

  DOI：10.1016/j.tetasy.2004.09.026

  日期：2004.11

  Alkyl 3-oxobutanoates (alkyl: methyl, ethyl, allyl, isobutyl, t-butyl) were reduced enantio selectively to the corresponding (S)-alcohols by the fungus Rhizopus arrhizus and other Rhizopus sp. The best result obtained was with t-butyl 3-oxobutanoate, which was reduced by R. arrhizus with 99% enantiomeric excess and similar to68% isolated yield. (C) 2004 Published by Elsevier Ltd.