(+/-)-6-acetoxy-6-ethyl-3-methyl-2-cyclohexen-1-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (+/-)-6-acetoxy-6-ethyl-3-methyl-2-cyclohexen-1-one
• 英文别名: (1-Ethyl-4-methyl-2-oxocyclohex-3-en-1-yl) acetate；(1-ethyl-4-methyl-2-oxocyclohex-3-en-1-yl) acetate
• 化学式: C₁₁H₁₆O₃
• 分子量: 196.246
• InChiKey: XWRYGOKTCYUTEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 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：

  6-乙基-3-甲基-环己-2-烯酮 、 manganese triacetate 以 苯 为溶剂， 生成 (+/-)-6-acetoxy-6-ethyl-3-methyl-2-cyclohexen-1-one
  参考文献：
  名称：

  The first enzymatic resolution of quaternary α′-acetoxy α,β-unsaturated cyclohexenones and cyclopentenones

  摘要：

  The enantio selective resolution of various quaternary alpha'-acetoxy alpha,beta-unsaturated cyclohexenones and cyclopentenones was performed with the commercially available enzyme CCL in pH = 8.0 phosphate buffer. Various parameters that would affect the enantioselectivities were tested and the best enzymatic resolution conditions were found to afford the enantiomerically enriched quaternary acetoxylated substrates with high ee varying between 36% and 99%. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2005.11.016

文献信息

• The first enzymatic resolution of quaternary α′-acetoxy α,β-unsaturated cyclohexenones and cyclopentenones
  作者：Cihangir Tanyeli、Fazilet Devrim Özdemirhan、Çiğdem İyigün

  DOI：10.1016/j.tetasy.2005.11.016

  日期：2005.12

  The enantio selective resolution of various quaternary alpha'-acetoxy alpha,beta-unsaturated cyclohexenones and cyclopentenones was performed with the commercially available enzyme CCL in pH = 8.0 phosphate buffer. Various parameters that would affect the enantioselectivities were tested and the best enzymatic resolution conditions were found to afford the enantiomerically enriched quaternary acetoxylated substrates with high ee varying between 36% and 99%. (c) 2005 Elsevier Ltd. All rights reserved.