5-heptyl-2-hexyl-2-hydroxyfuran-3(2H)-one | 858545-63-8

• 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: 5-heptyl-2-hexyl-2-hydroxyfuran-3(2H)-one
• 英文别名: 5-heptyl-2-hexyl-2-hydroxyfuran-3-one
• CAS: 858545-63-8
• 化学式: C₁₇H₃₀O₃
• 分子量: 282.423
• InChiKey: JPBZVOIXIPLNNZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  20
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  6-庚基-3-己基-4-羟基吡喃-2-酮 在 air 作用下， 以 氘代氯仿 为溶剂， 反应 240.0h， 生成 5-heptyl-2-hexyl-2-hydroxyfuran-3(2H)-one
  参考文献：
  名称：

  Pseudopyronines A and B, α-Pyrones Produced by a Marine Pseudomonas sp. F92S91, and Evidence for the Conversion of 4-Hydroxy-α-pyrone to 3-Furanone

  摘要：

  In our search for inhibitors of bacterial fatty acid biosynthesis, two new alpha-pyrones, pseudopyronines A (1) and B (2), were isolated from a marine Pseudomonas sp. F92S91. The naturally occurring a-pyrones appeared to be unstable, evidenced by the conversion of pseudopyronine B into an oxidation product, 3-furanone (3). Structural elucidations were made by spectroscopic analyses including 2D-NMR data.

  DOI：

  10.1021/np050038v

文献信息

• Pseudopyronines A and B, α-Pyrones Produced by a Marine <i>Pseudomonas</i> sp. F92S91, and Evidence for the Conversion of 4-Hydroxy-α-pyrone to 3-Furanone
  作者：Fangming Kong、Maya P. Singh、Guy T. Carter

  DOI：10.1021/np050038v

  日期：2005.6.1

  In our search for inhibitors of bacterial fatty acid biosynthesis, two new alpha-pyrones, pseudopyronines A (1) and B (2), were isolated from a marine Pseudomonas sp. F92S91. The naturally occurring a-pyrones appeared to be unstable, evidenced by the conversion of pseudopyronine B into an oxidation product, 3-furanone (3). Structural elucidations were made by spectroscopic analyses including 2D-NMR data.