5-hydroxy-6-methyl-2-(4-oxopentyl)benzofuran | 1004306-28-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 5-hydroxy-6-methyl-2-(4-oxopentyl)benzofuran
• 英文别名: 5-(5-Hydroxy-6-methyl-1-benzofuran-2-yl)pentan-2-one
• CAS: 1004306-28-8
• 化学式: C₁₄H₁₆O₃
• 分子量: 232.279
• InChiKey: TYXKKTGCCMTXOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  50.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-hydroxy-6-methyl-2-(4-oxopentyl)benzofuran 、 乙酸酐 在 potassium carbonate 作用下， 以 二氯甲烷 为溶剂， 以88%的产率得到5-acetoxy-6-methyl-2-(4-oxopentyl)benzofuran
  参考文献：
  名称：

  Synthesis and Structural Revision of (±)-Laurentristich-4-ol

  摘要：

  [GRAPHICS]The structure of tetracyclic natural sesquiterpene laurentristich-4-ol was revised based on its synthetic studies. The proposed and the revised structures of laurentristich-4-ol were both synthesized with SmI2-mediated ketyl radical cyclization as the key step to construct the spirocyclic ether skeleton.

  DOI：

  10.1021/jo7021247
• 作为产物：
  描述：

  2-碘-5-甲基苯-1,4-二醇 、 6-庚炔-2-酮 在 bis-triphenylphosphine-palladium(II) chloride copper(l) iodide 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 17.0h， 以60%的产率得到5-hydroxy-6-methyl-2-(4-oxopentyl)benzofuran
  参考文献：
  名称：

  Synthesis and Structural Revision of (±)-Laurentristich-4-ol

  摘要：

  [GRAPHICS]The structure of tetracyclic natural sesquiterpene laurentristich-4-ol was revised based on its synthetic studies. The proposed and the revised structures of laurentristich-4-ol were both synthesized with SmI2-mediated ketyl radical cyclization as the key step to construct the spirocyclic ether skeleton.

  DOI：

  10.1021/jo7021247

文献信息

• Synthesis and Structural Revision of (±)-Laurentristich-4-ol
  作者：Pinhong Chen、Junhua Wang、Kun Liu、Chaozhong Li

  DOI：10.1021/jo7021247

  日期：2008.1.1

  [GRAPHICS]The structure of tetracyclic natural sesquiterpene laurentristich-4-ol was revised based on its synthetic studies. The proposed and the revised structures of laurentristich-4-ol were both synthesized with SmI2-mediated ketyl radical cyclization as the key step to construct the spirocyclic ether skeleton.