2-(2'-bromo-2'-ethoxycarbonylethyl)-4-(isobytoxymethyl)butanolide | 890087-53-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-(2'-bromo-2'-ethoxycarbonylethyl)-4-(isobytoxymethyl)butanolide
• 英文别名: Ethyl 2-bromo-3-[5-(2-methylpropoxymethyl)-2-oxooxolan-3-yl]propanoate
• CAS: 890087-53-3
• 化学式: C₁₄H₂₃BrO₅
• 分子量: 351.238
• InChiKey: KBNCQFQZESUMOC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  20
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(2'-bromo-2'-ethoxycarbonylethyl)-4-(isobytoxymethyl)butanolide 、 对甲苯基硫脲 以 丙酮 为溶剂， 反应 1.0h， 以75%的产率得到2-(2'-p-tolylamino-4'-thiazolinon-5'-yl)methyl-4-(isobutoxymethyl)butanolide
  参考文献：
  名称：

  Synthesis of Carboxylactones and New Heterocyclic Compounds

  摘要：

  The Michael reaction of 2-ethoxycarbonyl-4-alkoxymethylbutanolides with methyl acrylate affords esterolactones in high yields. Alkaline hydrolysis of the latter resulted in carboxylactones that were transformed into ethyl alpha-bromolactonoesters. The reactions of the latter with thiourea and arylthioureas result in heterocyclic compounds of an original structure joint with a butanolide ring.

  DOI：

  10.1080/00397910600591862
• 作为产物：
  描述：

  3-(2-carboxy-ethyl)-5-isobutoxymethyl-2-oxo-tetrahydro-furan-3-carboxylic acid 在 氯化亚砜 、 溴 作用下， 以 四氯化碳 、 N,N-二甲基甲酰胺 、 苯 为溶剂， 生成 2-(2'-bromo-2'-ethoxycarbonylethyl)-4-(isobytoxymethyl)butanolide
  参考文献：
  名称：

  Synthesis of Carboxylactones and New Heterocyclic Compounds

  摘要：

  The Michael reaction of 2-ethoxycarbonyl-4-alkoxymethylbutanolides with methyl acrylate affords esterolactones in high yields. Alkaline hydrolysis of the latter resulted in carboxylactones that were transformed into ethyl alpha-bromolactonoesters. The reactions of the latter with thiourea and arylthioureas result in heterocyclic compounds of an original structure joint with a butanolide ring.

  DOI：

  10.1080/00397910600591862

文献信息

• Synthesis of Carboxylactones and New Heterocyclic Compounds
  作者：T. V. Kochikyan、M. A. Samvelyan、V. S. Haroutyunyan、A. A. Avetissyan

  DOI：10.1080/00397910600591862

  日期：2006.6.1

  The Michael reaction of 2-ethoxycarbonyl-4-alkoxymethylbutanolides with methyl acrylate affords esterolactones in high yields. Alkaline hydrolysis of the latter resulted in carboxylactones that were transformed into ethyl alpha-bromolactonoesters. The reactions of the latter with thiourea and arylthioureas result in heterocyclic compounds of an original structure joint with a butanolide ring.