3-氯-4-甲基-2(5H)-呋喃酮 | 134705-35-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氢呋喃
• 中文名称: 3-氯-4-甲基-2(5H)-呋喃酮
• 英文名称: 3-Chloro-4-methyl-2(5H)-furanone
• 英文别名: 4-chloro-3-methyl-2H-furan-5-one
• CAS: 134705-35-4
• 化学式: C₅H₅ClO₂
• 分子量: 132.546
• InChiKey: RZQNZDURDLIZRR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3,5-二羟基甲苯 生成 3-氯-4-甲基-2(5H)-呋喃酮
  参考文献：
  名称：

  Tretyakova Natalla Yu., Lebedev Albert T., Petrosyan Valery S., Environ. Sci. and Technol., 28 (1994) N 4, S 606-613

  摘要：

  DOI：

文献信息

• Synthesis of α-Halobutenolides Using the Nucleophilicity of Magnesium Alkylidene Carbenoids
  作者：Tsuyoshi Satoh、Tsutomu Kimura、Kazuki Fukuda、Gaku Kashiwamura

  DOI：10.3987/com-14-s(k)60

  日期：——

  alpha-Halobutenolides were synthesized from halomethyl p-tolyl sulfoxides, alpha-bromoketones, and phenyl chloroformate in three steps using the nucleophilicity of magnesium alkylidene carbenoids. The reaction of alpha-bromoketones with [halo(p-tolylsulfinyl)methyl]lithiums and the subsequent basification of the reaction mixture using an aqueous NaOH solution afforded 1-chloro-3-hydroxyprop-1-enyl p-tolyl sulfoxides in 83-99% yield. A phenoxycarbonyl group was then introduced to the hydroxyl group of the sulfoxides by reacting with phenyl chloroformate in the presence of pyridine. The sulkodde/magnesium exchange reaction of the cyclization precursors with i-PrMgCl center dot LiCl led to the formation of alpha-halobutenolides in moderate to good yields.
• Tretyakova Natalla Yu., Lebedev Albert T., Petrosyan Valery S., Environ. Sci. and Technol., 28 (1994) N 4, S 606-613
  作者：Tretyakova Natalla Yu., Lebedev Albert T., Petrosyan Valery S.

  DOI：——

  日期：——
• Saccharin derivative proteolytic enzyme inhibitors
  申请人：SANOFI-SYNTHELABO

  公开号：EP0547708B1

  公开（公告）日：2003-02-26