1-Acetoxy-2-methyl-4-morpholinopyridin-1-ium tetraphenylborate | 308124-68-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 1-Acetoxy-2-methyl-4-morpholinopyridin-1-ium tetraphenylborate
• 英文别名: (2-methyl-4-morpholin-4-ylpyridin-1-ium-1-yl) acetate;tetraphenylboranuide
• CAS: 308124-68-7
• 化学式: C₁₂H₁₇N₂O₃*C₂₄H₂₀B
• 分子量: 556.512
• InChiKey: JSVZFYFQEBRGCX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.16
• 重原子数：
  42
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  42.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-Acetoxy-2-methyl-4-morpholinopyridin-1-ium tetraphenylborate 、 4-(4'-N,N-dimethylaminostyryl)pyridine N-oxide 以 乙腈 为溶剂， 生成 4-(2-methyl-1-oxy-pyridin-4-yl)-morpholine 、 1-acetyloxy-4-(4-dimethylaminostyryl)pyridinium tetraphenylborate
  参考文献：
  名称：

  Equilibrium of acyl transfer between pyridine N-oxides and their acylonium salts

  摘要：

  TransFer of' acyl groups from N-acyloxypyridinium salts to pyridine N-oxides in acetonitrile was studied. The equilibrium constants of' acyl exchange were determined. These quantities vary in the range coverino ei,,ht orders of magnituJe, depending on the structure of the reavents. and are independent of' the z' c C C structure ol'the acyl group.

  DOI：

  10.1134/s1070363208060248
• 作为产物：
  描述：

  4-(2-methyl-1-oxy-pyridin-4-yl)-morpholine 、 1-acetyloxy-4-(4-dimethylaminostyryl)pyridinium tetraphenylborate 以 乙腈 为溶剂， 生成 1-Acetoxy-2-methyl-4-morpholinopyridin-1-ium tetraphenylborate 、 4-(4'-N,N-dimethylaminostyryl)pyridine N-oxide
  参考文献：
  名称：

  Equilibrium of acyl transfer between pyridine N-oxides and their acylonium salts

  摘要：

  TransFer of' acyl groups from N-acyloxypyridinium salts to pyridine N-oxides in acetonitrile was studied. The equilibrium constants of' acyl exchange were determined. These quantities vary in the range coverino ei,,ht orders of magnituJe, depending on the structure of the reavents. and are independent of' the z' c C C structure ol'the acyl group.

  DOI：

  10.1134/s1070363208060248