4,6-dibenzoyl-5-hydroxy-isophthalic acid diethyl ester

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 4,6-dibenzoyl-5-hydroxy-isophthalic acid diethyl ester
• 英文别名: Diethyl 4,6-dibenzoyl-5-hydroxybenzene-1,3-dicarboxylate；diethyl 4,6-dibenzoyl-5-hydroxybenzene-1,3-dicarboxylate
• 化学式: C₂₆H₂₂O₇
• 分子量: 446.456
• InChiKey: JRFHTZUDQABWOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  33
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  107
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  5-羟基间苯二甲酸 在 4-二甲氨基吡啶 、 tetramethylpiperidyl magnesium chloride LiCl comlex 、 tetramethylpiperidyl MgCl LiCl 、 硫酸 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 5.24h， 生成 4,6-dibenzoyl-5-hydroxy-isophthalic acid diethyl 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.