ethyl 2-(diethoxyphosphoryl)-2-(3-methyl-2-(pyrimidin-2-yl)-phenyl)acetate | 1436430-25-9

• 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: ethyl 2-(diethoxyphosphoryl)-2-(3-methyl-2-(pyrimidin-2-yl)-phenyl)acetate
• 英文别名: Ethyl 2-diethoxyphosphoryl-2-(3-methyl-2-pyrimidin-2-ylphenyl)acetate；ethyl 2-diethoxyphosphoryl-2-(3-methyl-2-pyrimidin-2-ylphenyl)acetate
• CAS: 1436430-25-9
• 化学式: C₁₉H₂₅N₂O₅P
• 分子量: 392.392
• InChiKey: KIWPCRXPMUYYQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  27
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  87.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  ethyl 2-diazo-2-(diethoxyphosphoryl)acetate 、 2-(2-methylphenyl)pyrimidine 在 silver hexafluoroantimonate 、 dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer 作用下， 以 乙醇 为溶剂， 反应 7.0h， 以90%的产率得到ethyl 2-(diethoxyphosphoryl)-2-(3-methyl-2-(pyrimidin-2-yl)-phenyl)acetate
  参考文献：
  名称：

  Rhodium(III)-Catalyzed Azacycle-Directed Intermolecular Insertion of Arene C–H Bonds into α-Diazocarbonyl Compounds

  摘要：

  Cp*Rh(III)-catalyzed intermolecular C C couplings between activated alpha-diazocarbonyl compounds and arenes bearing a range of azacyclic directing groups have been achieved. This catalytic alkylation reaction operates under mild conditions with good functional group tolerance.

  DOI：

  10.1021/jo400572h

文献信息

• Rhodium(III)-Catalyzed Azacycle-Directed Intermolecular Insertion of Arene C–H Bonds into α-Diazocarbonyl Compounds
  作者：Xinzhang Yu、Songjie Yu、Jian Xiao、Boshun Wan、Xingwei Li

  DOI：10.1021/jo400572h

  日期：2013.6.7

  Cp*Rh(III)-catalyzed intermolecular C C couplings between activated alpha-diazocarbonyl compounds and arenes bearing a range of azacyclic directing groups have been achieved. This catalytic alkylation reaction operates under mild conditions with good functional group tolerance.