3,5-di(etoxycarbonyl)-2-cyano-6-propionylphenyl tert-butyl carbonate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,5-di(etoxycarbonyl)-2-cyano-6-propionylphenyl tert-butyl carbonate
• 英文别名: Diethyl 4-cyano-5-[(2-methylpropan-2-yl)oxycarbonyloxy]-6-propanoylbenzene-1,3-dicarboxylate；diethyl 4-cyano-5-[(2-methylpropan-2-yl)oxycarbonyloxy]-6-propanoylbenzene-1,3-dicarboxylate
• 化学式: C₂₁H₂₅NO₈
• 分子量: 419.431
• InChiKey: MSMNORFRFOWXPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  30
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  129
• 氢给体数：
  0
• 氢受体数：
  9

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 MgCl LiCl 、 硫酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 1.91h， 生成 3,5-di(etoxycarbonyl)-2-cyano-6-propionylphenyl tert-butyl carbonate
  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.