ethyl (Z)-2-(1-hydroxyethyl)-4-methylpent-2-enoate | 958667-00-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 英文名称: ethyl (Z)-2-(1-hydroxyethyl)-4-methylpent-2-enoate
• CAS: 958667-00-0
• 化学式: C₁₀H₁₈O₃
• 分子量: 186.251
• InChiKey: VGLNXCPJJLVQBQ-TWGQIWQCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.51
• 重原子数：
  13.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  46.53
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  ethyl (Z)-2-(1-hydroxyethyl)-4-methylpent-2-enoate 在 potassium carbonate 作用下， 以 甲醇 、 乙醚 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 isobutylidene-acetylacetate 在 sodium tetrahydroborate 、 cerium(III) chloride 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 ethyl (Z)-2-(1-hydroxyethyl)-4-methylpent-2-enoate 、
  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