2-ethoxycarbonyl-2-bromo-4-methylbutanolide | 780767-71-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 英文名称: 2-ethoxycarbonyl-2-bromo-4-methylbutanolide
• 英文别名: Ethyl 3-bromo-5-methyl-2-oxooxolane-3-carboxylate
• CAS: 780767-71-7
• 化学式: C₈H₁₁BrO₄
• 分子量: 251.077
• InChiKey: YELSHWAZHDZWON-UHFFFAOYSA-N

物化性质

• 沸点：
  309.1±42.0 °C(Predicted)
• 密度：
  1.4715 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  苯基硫脲 、 2-ethoxycarbonyl-2-bromo-4-methylbutanolide 以 丙酮 为溶剂， 反应 1.0h， 以71%的产率得到8-Methyl-2-phenylimino-7-oxa-1-thia-3-azaspiro[4.4]nonane-4,6-dione
  参考文献：
  名称：

  Synthesis of 2‐Ethoxycarbonyl‐2‐Bromo‐4‐Methyl‐4‐Substituted Butanolides and New Spiroheteryl‐Joint Butanolides Based Thereon

  摘要：

  The bromination reaction of 2-ethoxycarbonyl-4-methyl-4-substituted butanolides has been studied, and it has been established that bromination with equimolar quantity of bromine in dry carbon tetrachloride was obtained in good yields of 2-ethoxycarbonyl-2-bromo-4-methyl-4-substituted butanolides. The interaction of the latter with thiourea and substituted thioureas has been investigated. It has been shown that under conditions of Hunch's reaction, as a result of heterocyclization were obtained spiroheteryl joint lactones of a new generation-2-aza-3-amino or substituted amino-4-thia-7-oxa-8-methyl-8-substituted spiro[4,4]-2-, nonene-1,6-diones.

  DOI：

  10.1081/scc-200036633
• 作为产物：
  描述：

  ethyl 5-methyl-2-oxotetrahydrofuran-3-carboxylate 在 溴 作用下， 以 四氯化碳 为溶剂， 以87%的产率得到2-ethoxycarbonyl-2-bromo-4-methylbutanolide
  参考文献：
  名称：

  Synthesis of 2‐Ethoxycarbonyl‐2‐Bromo‐4‐Methyl‐4‐Substituted Butanolides and New Spiroheteryl‐Joint Butanolides Based Thereon

  摘要：

  The bromination reaction of 2-ethoxycarbonyl-4-methyl-4-substituted butanolides has been studied, and it has been established that bromination with equimolar quantity of bromine in dry carbon tetrachloride was obtained in good yields of 2-ethoxycarbonyl-2-bromo-4-methyl-4-substituted butanolides. The interaction of the latter with thiourea and substituted thioureas has been investigated. It has been shown that under conditions of Hunch's reaction, as a result of heterocyclization were obtained spiroheteryl joint lactones of a new generation-2-aza-3-amino or substituted amino-4-thia-7-oxa-8-methyl-8-substituted spiro[4,4]-2-, nonene-1,6-diones.

  DOI：

  10.1081/scc-200036633

文献信息

• Synthesis of 2‐Ethoxycarbonyl‐2‐Bromo‐4‐Methyl‐4‐Substituted Butanolides and New Spiroheteryl‐Joint Butanolides Based Thereon
  作者：Tariel Kochikyan

  DOI：10.1081/scc-200036633

  日期：2004.12.31

  The bromination reaction of 2-ethoxycarbonyl-4-methyl-4-substituted butanolides has been studied, and it has been established that bromination with equimolar quantity of bromine in dry carbon tetrachloride was obtained in good yields of 2-ethoxycarbonyl-2-bromo-4-methyl-4-substituted butanolides. The interaction of the latter with thiourea and substituted thioureas has been investigated. It has been shown that under conditions of Hunch's reaction, as a result of heterocyclization were obtained spiroheteryl joint lactones of a new generation-2-aza-3-amino or substituted amino-4-thia-7-oxa-8-methyl-8-substituted spiro[4,4]-2-, nonene-1,6-diones.