methyl 2-fluoro-3-hydroxyoctanoate | 943962-29-6

• 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: methyl 2-fluoro-3-hydroxyoctanoate
• CAS: 943962-29-6
• 化学式: C₉H₁₇FO₃
• 分子量: 192.231
• InChiKey: MPJOGNAACIOFSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.44
• 重原子数：
  13.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 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：

  methyl 2-fluoro-3-hydroxyoctanoate 在 sodium hydroxide 作用下， 生成 3-hydroxy-2-fluorooctanoic acid
  参考文献：
  名称：

  Formation of an enolate intermediate is required for the reaction catalyzed by 3-hydroxyacyl-CoA dehydrogenase

  摘要：

  Fluorinated substrate analogs were synthesized and incubated with rat liver 3-hydroxyacyl-CoA dehydrogenase, which reveals that the formation of an enolate intermediate is required for the reaction catalyzed by the enzyme. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.03.023
• 作为产物：
  描述：

  methyl 2-bromo-2-fluoroacetate 、 正己醛 在 锌 作用下， 以 四氢呋喃 为溶剂， 生成 methyl 2-fluoro-3-hydroxyoctanoate
  参考文献：
  名称：

  Formation of an enolate intermediate is required for the reaction catalyzed by 3-hydroxyacyl-CoA dehydrogenase

  摘要：

  Fluorinated substrate analogs were synthesized and incubated with rat liver 3-hydroxyacyl-CoA dehydrogenase, which reveals that the formation of an enolate intermediate is required for the reaction catalyzed by the enzyme. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.03.023