N-(1-{1-(2-oxoazepan-1-yl)-2-[(2,2,6,6-tetramethyl-4-methoxypiperidin-1-yl)oxy]ethyl}-2-oxo-1,2-dihydropyrimidin-4-yl)benzamide

• 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: N-(1-{1-(2-oxoazepan-1-yl)-2-[(2,2,6,6-tetramethyl-4-methoxypiperidin-1-yl)oxy]ethyl}-2-oxo-1,2-dihydropyrimidin-4-yl)benzamide
• 英文别名: N-[1-[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-1-(2-oxoazepan-1-yl)ethyl]-2-oxopyrimidin-4-yl]benzamide
• 化学式: C₂₉H₄₁N₅O₅
• 分子量: 539.675
• InChiKey: WVIZJKNNMXEPLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  39
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  104
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-乙烯基己内酰胺 、 环丙沙星 、 4-Methoxy-2,2,6,6-tetramethyl-1-oxo-piperidinium; nitrate 生成 N-(1-{1-(2-oxoazepan-1-yl)-2-[(2,2,6,6-tetramethyl-4-methoxypiperidin-1-yl)oxy]ethyl}-2-oxo-1,2-dihydropyrimidin-4-yl)benzamide
  参考文献：
  名称：

  Efficient Pyrimidine N‐1‐Alkylation via Activation of Electron Rich Olefins with Oxoammonium Salts: Synthesis of Methoxy TEMPO Substituted Pyrimidine Nucleoside Analogs

  摘要：

  Our work outlines the use of oxoammonium salts in a formal 1,2 addition process to olefins giving nucleoside analogs as products. Specifically, oxoammonium salts can be added to a solution of olefin and silylated heterocycle to give Methoxy TEMPO substituted nucleoside analogs after hydrolytic workup and chromatographic purification.

  DOI：

  10.1081/ncn-200034038