ethyl (2Z,3R)-3-acetyloxy-2-(cyclohexylmethylidene)butanoate | 958667-07-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl (2Z,3R)-3-acetyloxy-2-(cyclohexylmethylidene)butanoate
• CAS: 958667-07-7
• 化学式: C₁₅H₂₄O₄
• 分子量: 268.353
• InChiKey: CGCUPCUBOIVWED-UXEDPAHQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl (2Z,3R)-3-acetyloxy-2-(cyclohexylmethylidene)butanoate 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Enzymatic resolution of ethyl 3-hydroxy-2(1′substituted-methylidene)-butyrate by Pseudomonas cepacia lipase catalyzed acetylation

  摘要：

  Enzymatic resolution of a series of enantiomerically pure ethyl 3-hydroxy-2(1 ' substituted-methylidene)-butyrates was performed using Pseudomonas cepacia lipase (EC 3.1.1.3) as a catalyst. Optically active ethyl 3-hydroxy-2(1 ' substituted-methylidene)-butyrates, as well as their acetates, were obtained from this reaction in good yield and excellent enantiomeric excess. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2007.09.002
• 作为产物：
  描述：

  Ethyl 2-(cyclohexylmethylidene)-3-oxobutanoate 在 sodium tetrahydroborate 、 cerium(III) chloride 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 为溶剂， 反应 7.0h， 生成 ethyl (2Z,3R)-3-acetyloxy-2-(cyclohexylmethylidene)butanoate
  参考文献：
  名称：

  Enzymatic resolution of ethyl 3-hydroxy-2(1′substituted-methylidene)-butyrate by Pseudomonas cepacia lipase catalyzed acetylation

  摘要：

  Enzymatic resolution of a series of enantiomerically pure ethyl 3-hydroxy-2(1 ' substituted-methylidene)-butyrates was performed using Pseudomonas cepacia lipase (EC 3.1.1.3) as a catalyst. Optically active ethyl 3-hydroxy-2(1 ' substituted-methylidene)-butyrates, as well as their acetates, were obtained from this reaction in good yield and excellent enantiomeric excess. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2007.09.002