methyl 3-(2,4-dichlorophenyl)-2-methyl-3-oxopropanoate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl 3-(2,4-dichlorophenyl)-2-methyl-3-oxopropanoate
• 英文别名: Methyl 3-(2,4-dichlorophenyl)-2-methyl-3-oxopropanoate
• 化学式: C₁₁H₁₀Cl₂O₃
• 分子量: 261.105
• InChiKey: MOKVMWWRQOWVHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  过氧化苯甲酸叔丁酯 、 3-(2,4-二氯苯基)-3-氧代丙酸甲酯 在 copper(II) bis(tetrafluoroborate) 作用下， 以 水 、 氯苯 为溶剂， 反应 2.0h， 以55%的产率得到methyl 3-(2,4-dichlorophenyl)-2-methyl-3-oxopropanoate
  参考文献：
  名称：

  tert-Butyl Peroxybenzoate-Promoted α-Methylation of 1,3-Dicarbonyl Compounds

  摘要：

  A tert-butyl peroxybenzoate (TBPB)-promoted direct a-methylation of 1,3-dicarbonyl compounds has been developed, providing alpha-methyl derivatives in moderate to good yields. In this procedure, TBPB plays a dual role, serving as both the methyl source and radical initiator. This work represents a key complement to the traditional alpha-methylation of 1,3-dicarbonyl compounds using methyl iodide.

  DOI：

  10.1021/jo502204a

文献信息

• <i>tert</i>-Butyl Peroxybenzoate-Promoted α-Methylation of 1,3-Dicarbonyl Compounds
  作者：Songjin Guo、Qian Wang、Yan Jiang、Jin-Tao Yu

  DOI：10.1021/jo502204a

  日期：2014.11.21

  A tert-butyl peroxybenzoate (TBPB)-promoted direct a-methylation of 1,3-dicarbonyl compounds has been developed, providing alpha-methyl derivatives in moderate to good yields. In this procedure, TBPB plays a dual role, serving as both the methyl source and radical initiator. This work represents a key complement to the traditional alpha-methylation of 1,3-dicarbonyl compounds using methyl iodide.