5-ethoxycarbonyl-4-hydroxy-3-oxo-2(3H)-furanone | 1134799-67-9

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 5-ethoxycarbonyl-4-hydroxy-3-oxo-2(3H)-furanone
• 英文别名: ethyl 3-hydroxy-4,5-dioxofuran-2-carboxylate
• CAS: 1134799-67-9
• 化学式: C₇H₆O₆
• 分子量: 186.121
• InChiKey: MQLNCQSSQNTHRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  89.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  乙醇 、 5-Carboxy-4-hydroxy-3-oxo-2(3h)-furanone 在 苯磺酸 作用下， 以 氯仿 为溶剂， 反应 12.0h， 生成 5-ethoxycarbonyl-4-hydroxy-3-oxo-2(3H)-furanone
  参考文献：
  名称：

  Catalytic oxidation of furan and hydrofuran compounds 8. Synthesis of 5-ethoxycarbonyl-4-hydroxy-3-oxo-2(3H)-furanone by the oxidation of furfural in the system aqueous H2O2-VOSO4-ethanol

  摘要：

  The special features of the oxidation of furfural by aqueous hydrogen peroxide in the presence of vanadyl sulfate and ethanol has been studied for the first time. It has been established that this reaction proceeds with the formation of previously unknown oxidation products of furan compounds, one of which was isolated from the reaction mixture as the ethyl ester. It was established by spectral methods and qualitative reactions that this product is 5-ethoxycarbonyl-4-hydroxy-3-oxo-2(3H)-furanone.

  DOI：

  10.1007/s10593-008-0043-3