2-Carboxy-4-(1'-hexyl)butyrolacton | 26613-70-7

• 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-Carboxy-4-(1'-hexyl)butyrolacton
• 英文别名: 5-hexyl-2-oxo-tetrahydro-furan-3-carboxylic acid；5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid；5-hexyl-2-oxooxolane-3-carboxylic acid
• CAS: 26613-70-7
• 化学式: C₁₁H₁₈O₄
• 分子量: 214.262
• InChiKey: ZHNHBUOFMLNZNN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Carboxy-4-(1'-hexyl)butyrolacton 在 聚合甲醛 、 sodium acetate 、 溶剂黄146 、 N-甲基苯胺 作用下， 反应 2.0h， 以79%的产率得到5-hexyl-3-methylenedihydrofuran-2(3H)-one
  参考文献：
  名称：

  An Improved Procedure for α-Methylenation of Lactones

  摘要：

  A variety of gamma-butyrolactones, as well as a delta-valerolactone and an ester, have been efficiently converted to their alpha-methylene derivatives by using an improved decarboxylative methylenation procedure, which is simpler and more general than the previously described method.

  DOI：

  10.1080/00397919308009804
• 作为产物：
  描述：

  丙位癸内酯 、 methyl magnesium carbonate 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以83%的产率得到2-Carboxy-4-(1'-hexyl)butyrolacton
  参考文献：
  名称：

  An Improved Procedure for α-Methylenation of Lactones

  摘要：

  A variety of gamma-butyrolactones, as well as a delta-valerolactone and an ester, have been efficiently converted to their alpha-methylene derivatives by using an improved decarboxylative methylenation procedure, which is simpler and more general than the previously described method.

  DOI：

  10.1080/00397919308009804

文献信息

• An Improved Procedure for α-Methylenation of Lactones
  作者：Maria M. Murta、Mariangela B. M. de Azevedo、Andrew E. Greene

  DOI：10.1080/00397919308009804

  日期：1993.2

  A variety of gamma-butyrolactones, as well as a delta-valerolactone and an ester, have been efficiently converted to their alpha-methylene derivatives by using an improved decarboxylative methylenation procedure, which is simpler and more general than the previously described method.