2-(4-Methoxyphenyl)pyrimidine 1-oxide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(4-Methoxyphenyl)pyrimidine 1-oxide
• 英文别名: 2-(4-methoxyphenyl)-1-oxidopyrimidin-1-ium
• 化学式: C₁₁H₁₀N₂O₂
• 分子量: 202.213
• InChiKey: ZTHYQXJGHRNQQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.39
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  49.06
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-(4-Methoxyphenyl)pyrimidine 1-oxide 在 三氯化磷 作用下， 以 乙酸乙酯 为溶剂， 反应 1.0h， 生成 2-(4-甲氧基苯基)嘧啶
  参考文献：
  名称：

  Diazines 13: Metalation without Ortho-Directing Group - Functionalization of Diazines via Direct Metalation

  摘要：

  The successful metalation of diazines without an ortho-directing group is described. In some cases, dimers were obtained. The metalation was optimal with LTMP if a 4-fold excess of metalating agent was used, with a very short metalation reaction time at -75 degrees C. This procedure was applied to pyrimidine, 2-substituted pyrimidines, pyridazine, and pyrazine, allowing for the synthesis of various monosubstituted diazines.

  DOI：

  10.1021/jo00117a033
• 作为产物：
  描述：

  1,1,3,3-四甲氧基丙烷 、 4-甲氧基苄胺肟 在 三氟乙酸 作用下， 以 异丙醇 为溶剂， 反应 12.0h， 以22%的产率得到2-(4-Methoxyphenyl)pyrimidine 1-oxide
  参考文献：
  名称：

  An Approach to Pyrimidine N-Oxides: Carboxamide Oximes as Precursors

  摘要：

  DOI：

  10.3987/com-98-8132

文献信息

• An Approach to Pyrimidine N-Oxides: Carboxamide Oximes as Precursors
  作者：Slovenko Polanc、Biserka Mlakar、Bogdan Stefane、Marijan Kocevar

  DOI：10.3987/com-98-8132

  日期：——
• Diazines 13: Metalation without Ortho-Directing Group - Functionalization of Diazines via Direct Metalation
  作者：Nelly Ple、Alain Turck、Karine Couture、Guy Queguiner

  DOI：10.1021/jo00117a033

  日期：1995.6

  The successful metalation of diazines without an ortho-directing group is described. In some cases, dimers were obtained. The metalation was optimal with LTMP if a 4-fold excess of metalating agent was used, with a very short metalation reaction time at -75 degrees C. This procedure was applied to pyrimidine, 2-substituted pyrimidines, pyridazine, and pyrazine, allowing for the synthesis of various monosubstituted diazines.