[(2S)-butan-2-yl] 3-oxobutanoate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: [(2S)-butan-2-yl] 3-oxobutanoate
• 化学式: C₈H₁₄O₃
• 分子量: 158.197
• InChiKey: QSTNBMLCULGCQE-ZETCQYMHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [(2S)-butan-2-yl] 3-oxobutanoate 在 yeast Saccharomyces cerevisiae 、 水 作用下， 以 Petroleum ether 为溶剂， 以89%的产率得到
  参考文献：
  名称：

  The stereoselective preparation of β-hydroxy esters using a yeast reduction in an organic solvent

  摘要：

  A range of (S)-beta-hydroxy esters has been prepared in high yield (56-96%) and with very high enantioselectivity (>94%) using a yeast mediated reduction in light petroleum. It was found that the ester functionality had a marked effect on both the isolated yield and the quantity of yeast required to effect complete reduction. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0957-4166(97)00050-5
• 作为产物：
  描述：

  (S)-(+)-2-丁醇 、 2,2,6-三甲基-4H-1,3-二英-4-酮 在 对甲苯磺酸 作用下， 以47%的产率得到[(2S)-butan-2-yl] 3-oxobutanoate
  参考文献：
  名称：

  The stereoselective preparation of β-hydroxy esters using a yeast reduction in an organic solvent

  摘要：

  A range of (S)-beta-hydroxy esters has been prepared in high yield (56-96%) and with very high enantioselectivity (>94%) using a yeast mediated reduction in light petroleum. It was found that the ester functionality had a marked effect on both the isolated yield and the quantity of yeast required to effect complete reduction. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0957-4166(97)00050-5