3-hydroxy-5-propyl-5H-furan-2-one | 77414-30-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氢呋喃
• 英文名称: 3-hydroxy-5-propyl-5H-furan-2-one
• 英文别名: 5-propyl-isotetronic acid；4-hydroxy-2-propyl-2H-furan-5-one
• CAS: 77414-30-3
• 化学式: C₇H₁₀O₃
• 分子量: 142.155
• InChiKey: BYIUBVMEKAIUMU-UHFFFAOYSA-N

物化性质

• 沸点：
  323.4±42.0 °C(Predicted)
• 密度：
  1.198±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-hydroxy-5-propyl-5H-furan-2-one 在 溴 作用下， 以 氯仿 为溶剂， 以57%的产率得到4-bromo-3-hydroxy-5-propyl-2(5H)-furanone
  参考文献：
  名称：

  The fragmentation of isotetronic acids under electron impact

  摘要：

  AbstractThe mass spectral fragmentation of eleven α‐hydroxybutenolide compounds (isotetronic acids) are reported. The main features are carboxyl and consecutive carbon monoxide expulsions. Masses were determined using high resolution techniques, metastable transitions were detected by defocusing experiments, and pathways were further documented by isotopic labelling experiments.

  DOI：

  10.1002/oms.1210151006
• 作为产物：
  描述：

  3-羟基己酸 在 二甲基二环氧乙烷 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 乙醇 、 丙酮 为溶剂， 生成 3-hydroxy-5-propyl-5H-furan-2-one
  参考文献：
  名称：

  Synthesis of α-Keto Esters and Amides via Oxidative Cleavage of Cyanoketophosphoranes by Dimethyldioxirane

  摘要：

  DOI：

  10.1021/jo0015974

文献信息

• Synthesis of α-Keto Esters and Amides via Oxidative Cleavage of Cyanoketophosphoranes by Dimethyldioxirane
  作者：Man-Kin Wong、Chun-Wing Yu、Wai-Hung Yuen、Dan Yang

  DOI：10.1021/jo0015974

  日期：2001.5.1
• The fragmentation of isotetronic acids under electron impact
  作者：C. C. Bonini、C. Iavarone、C. Trogolo、Gerald A. Poulton

  DOI：10.1002/oms.1210151006

  日期：1980.10

  AbstractThe mass spectral fragmentation of eleven α‐hydroxybutenolide compounds (isotetronic acids) are reported. The main features are carboxyl and consecutive carbon monoxide expulsions. Masses were determined using high resolution techniques, metastable transitions were detected by defocusing experiments, and pathways were further documented by isotopic labelling experiments.