8-(乙酰硫基)薄荷酮 | 57074-34-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 8-(乙酰硫基)薄荷酮
• 英文名称: (1R,4R)-8-acetylthio-para-menthan-3-one
• 英文别名: Menthone-8-thioacetate, trans-；S-[2-[(1R,4R)-4-methyl-2-oxocyclohexyl]propan-2-yl] ethanethioate
• CAS: 57074-34-7
• 化学式: C₁₂H₂₀O₂S
• 分子量: 228.356
• InChiKey: AMXPURQVAMENCC-PSASIEDQSA-N

物化性质

• LogP：
  2.36

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  59.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  长叶薄荷酮 、 硫代乙酸 在 indium(III) chloride 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 6.0h， 生成 8-(乙酰硫基)薄荷酮 、 (1R,4S)-8-acetylthio-para-menthan-3-one
  参考文献：
  名称：

  Flavouring and odorant thiols from renewable natural resources by InIII-catalysed hydrothioacetylation and lipase-catalysed solvolysis

  摘要：

  A chemoenzymatic access to thiol compounds, including ethyl 3-thiobutanoate, 3-thio-p-menthene and 8-thio-p-menthan-2-one, three compounds of interest in flavour and fragrance chemistry presenting various fruity notes, is proposed. It involves an indium(III)-catalysed hydrothioacetylation of renewable precursors followed by an enzymatic solvolysis of the obtained thioesters by lipases in aqueous or organic solvents. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.02.081

文献信息

• Flavouring and odorant thiols from renewable natural resources by InIII-catalysed hydrothioacetylation and lipase-catalysed solvolysis
  作者：Reine-Marie Dia、Rim Belaqziz、Abderrahmane Romane、Sylvain Antoniotti、Elisabet Duñach

  DOI：10.1016/j.tetlet.2010.02.081

  日期：2010.4

  A chemoenzymatic access to thiol compounds, including ethyl 3-thiobutanoate, 3-thio-p-menthene and 8-thio-p-menthan-2-one, three compounds of interest in flavour and fragrance chemistry presenting various fruity notes, is proposed. It involves an indium(III)-catalysed hydrothioacetylation of renewable precursors followed by an enzymatic solvolysis of the obtained thioesters by lipases in aqueous or organic solvents. (c) 2010 Elsevier Ltd. All rights reserved.