1-[3-(2-hydroxy-5-methyl)furanyl]ethanon | 318511-77-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[3-(2-hydroxy-5-methyl)furanyl]ethanon
• 英文别名: 1-(2-Hydroxy-5-methylfuran-3-yl)ethanone
• CAS: 318511-77-2
• 化学式: C₇H₈O₃
• 分子量: 140.139
• InChiKey: DJYVCPPODZIDRA-UHFFFAOYSA-N

物化性质

• 沸点：
  213.4±35.0 °C(Predicted)
• 密度：
  1.182±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  50.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  tert-butyl 2-acetyl-4-oxopentanoate 在 三氟乙酸 作用下， 反应 1.0h， 以77%的产率得到1-[3-(2-hydroxy-5-methyl)furanyl]ethanon
  参考文献：
  名称：

  Synthesis of Tri- and Tetrasubstituted Furans Catalyzed by Trifluoroacetic Acid

  摘要：

  [GRAPHICS]Substituted 2-hydroxy-3-acetylfurans are synthesized by alkylation of tert-butyl acetoacetate with an alpha -haloketone followed by treatment of the obtained intermediate with trifluoroacetic acid (TFA). A second alkylation of the intermediate followed by treatment with trifluoroacetic acid provides access to disubstituted 2-methylfurans.

  DOI：

  10.1021/ol0063205

文献信息

• Synthesis of Tri- and Tetrasubstituted Furans Catalyzed by Trifluoroacetic Acid
  作者：Frédéric Stauffer、Reinhard Neier

  DOI：10.1021/ol0063205

  日期：2000.11.1

  [GRAPHICS]Substituted 2-hydroxy-3-acetylfurans are synthesized by alkylation of tert-butyl acetoacetate with an alpha -haloketone followed by treatment of the obtained intermediate with trifluoroacetic acid (TFA). A second alkylation of the intermediate followed by treatment with trifluoroacetic acid provides access to disubstituted 2-methylfurans.