1-tert-butyl-2-dimethoxyphosphoryl-3,3-dimethylaziridinium 2,4,6-trinitrophenoxide | 1326345-04-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 1-tert-butyl-2-dimethoxyphosphoryl-3,3-dimethylaziridinium 2,4,6-trinitrophenoxide
• CAS: 1326345-04-3
• 化学式: C₆H₃N₃O₇*C₁₀H₂₂NO₃P
• 分子量: 464.369
• InChiKey: JRCRTBUAWGSOCM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.81
• 重原子数：
  31.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  188.19
• 氢给体数：
  1.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  甲醇 、 1-tert-butyl-2-dimethoxyphosphoryl-3,3-dimethylaziridinium 2,4,6-trinitrophenoxide 以95%的产率得到N-tert-butyl-N-(1-dimethoxyphosphoryl-2-methoxy-2-methylpropyl)ammonium 2,4,6-trinitrophenoxide
  参考文献：
  名称：

  Phosphorylated aziridinium salts: synthesis and ring opening with nucleophiles

  摘要：

  Treatment of 1-tert-butyl-2-dimethoxyphosphoryl-3,3-dimethylaziridine with picric, perchloric or fluoboric acid affords the stable corresponding aziridinium salts, which are prone to undergo ring opening on reaction with alcohols, carboxylate and thiocyanate ions.

  DOI：

  10.1016/j.mencom.2011.07.009
• 作为产物：
  描述：

  1-tert-butyl-2-dimethoxyphosphoryl-3,3-dimethylaziridinium perchlorate 反应 24.0h， 生成 1-tert-butyl-2-dimethoxyphosphoryl-3,3-dimethylaziridinium 2,4,6-trinitrophenoxide
  参考文献：
  名称：

  Phosphorylated aziridinium salts: synthesis and ring opening with nucleophiles

  摘要：

  Treatment of 1-tert-butyl-2-dimethoxyphosphoryl-3,3-dimethylaziridine with picric, perchloric or fluoboric acid affords the stable corresponding aziridinium salts, which are prone to undergo ring opening on reaction with alcohols, carboxylate and thiocyanate ions.

  DOI：

  10.1016/j.mencom.2011.07.009