2-(2,2-dimethyl-propyonyl)-3-hydroxy-benzoic acid ethyl ester | 918402-53-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(2,2-dimethyl-propyonyl)-3-hydroxy-benzoic acid ethyl ester
• 英文别名: Ethyl 2-(2,2-dimethylpropanoyl)-3-hydroxybenzoate；ethyl 2-(2,2-dimethylpropanoyl)-3-hydroxybenzoate
• CAS: 918402-53-6
• 化学式: C₁₄H₁₈O₄
• 分子量: 250.295
• InChiKey: KJKOFJWPMVPIRW-UHFFFAOYSA-N

物化性质

• 沸点：
  377.9±27.0 °C(Predicted)
• 密度：
  1.120±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-羟基苯甲酸乙酯 在 吡啶 、 tetramethylpiperidyl MgCl LiCl 作用下， 以 四氢呋喃 为溶剂， 反应 23.0h， 生成 2-(2,2-dimethyl-propyonyl)-3-hydroxy-benzoic acid ethyl ester
  参考文献：
  名称：

  Highly Functionalized Benzene Syntheses by Directed Mono or Multiple Magnesiations with TMPMgCl·LiCl

  摘要：

  The direct magnesiation of highly functionalized aromatics bearing an ester, a nitrile, or a ketone can be readily performed by using an OBoc as a directing group and TMPMgCl-LiCl as a base. It allows, for example, the preparation of a meta-magnesiated benzophenone in > 95%. After quenching, highly functionalized and substituted benzenes are obtained.

  DOI：

  10.1021/ol0625536

文献信息

• Highly Functionalized Benzene Syntheses by Directed Mono or Multiple Magnesiations with TMPMgCl·LiCl
  作者：Wenwei Lin、Oliver Baron、Paul Knochel

  DOI：10.1021/ol0625536

  日期：2006.11.1

  The direct magnesiation of highly functionalized aromatics bearing an ester, a nitrile, or a ketone can be readily performed by using an OBoc as a directing group and TMPMgCl-LiCl as a base. It allows, for example, the preparation of a meta-magnesiated benzophenone in > 95%. After quenching, highly functionalized and substituted benzenes are obtained.