2,3-dimethylbut-2-enyl 4-chlorobenzoate | 1383677-67-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,3-dimethylbut-2-enyl 4-chlorobenzoate
• 英文别名: 2,3-Dimethylbut-2-enyl 4-chlorobenzoate
• CAS: 1383677-67-5
• 化学式: C₁₃H₁₅ClO₂
• 分子量: 238.714
• InChiKey: JONVMROTMFMGKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 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：

  2,3-二甲基-2-丁烯 、 对氯苯甲酸 在 叔丁基过氧化氢 、 四丁基碘化铵 作用下， 以 苯 为溶剂， 反应 8.0h， 以68%的产率得到2,3-dimethylbut-2-enyl 4-chlorobenzoate
  参考文献：
  名称：

  Tetrabutylammonium Iodide Catalyzed Synthesis of Allylic Ester with tert-Butyl Hydroperoxide as an Oxidant

  摘要：

  A metal-free C H oxidation for the construction of allylic esters has been developed. The use of a commercially available and inexpensive catalyst and oxidant, and readily available starting materials, coupled with the operational simplicity of the reaction, renders the methodology a useful alternative to other approaches typically employed in the synthesis of allylic esters.

  DOI：

  10.1021/ol3013606

文献信息

• Tetrabutylammonium Iodide Catalyzed Synthesis of Allylic Ester with <i>tert</i>-Butyl Hydroperoxide as an Oxidant
  作者：Erbo Shi、Ying Shao、Shulin Chen、Huayou Hu、Zhaojun Liu、Jie Zhang、Xiaobing Wan

  DOI：10.1021/ol3013606

  日期：2012.7.6

  A metal-free C H oxidation for the construction of allylic esters has been developed. The use of a commercially available and inexpensive catalyst and oxidant, and readily available starting materials, coupled with the operational simplicity of the reaction, renders the methodology a useful alternative to other approaches typically employed in the synthesis of allylic esters.