methyl 3-methyl-4-oxononanoate | 89631-03-8

• 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: methyl 3-methyl-4-oxononanoate
• CAS: 89631-03-8
• 化学式: C₁₁H₂₀O₃
• 分子量: 200.278
• InChiKey: XZNIWZPDMNWHLO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  ethyl 3-methyl-4-oxononanoate 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 反应 48.0h， 生成 methyl 3-methyl-4-oxononanoate
  参考文献：
  名称：

  Synthesis of all stereoisomers of cognac lactones via microbial reduction and enzymatic resolution strategies

  摘要：

  Both enantiomers of the diastereomeric cognac lactones have been synthesised using enzyme assisted reactions in the enantiodifferentiating step. This was accomplished by baker's yeast reduction of their precursors 3-methyl-4-oxononanoic acid and ester and by enzymatic hydrolysis of the latter. An inhibition of hydrolases by the products was observed. Trans-(+)-, trans-(-)-, cis-(+)- and cis-(-)-cognac lactones having 99, 88, 88 and 99% e.e., respectively, were thus obtained. Their CD spectra have also been studied. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(01)00059-3

文献信息

• Synthesis of all stereoisomers of cognac lactones via microbial reduction and enzymatic resolution strategies
  作者：Fabio Benedetti、Cristina Forzato、Patrizia Nitti、Giuliana Pitacco、Ennio Valentin、Michela Vicario

  DOI：10.1016/s0957-4166(01)00059-3

  日期：2001.3

  Both enantiomers of the diastereomeric cognac lactones have been synthesised using enzyme assisted reactions in the enantiodifferentiating step. This was accomplished by baker's yeast reduction of their precursors 3-methyl-4-oxononanoic acid and ester and by enzymatic hydrolysis of the latter. An inhibition of hydrolases by the products was observed. Trans-(+)-, trans-(-)-, cis-(+)- and cis-(-)-cognac lactones having 99, 88, 88 and 99% e.e., respectively, were thus obtained. Their CD spectra have also been studied. (C) 2001 Elsevier Science Ltd. All rights reserved.