| 97579-77-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• CAS: 97579-77-6
• 化学式: C₁₃H₂₅ClN₃O₂
• 分子量: 290.813
• InChiKey: PRYHGGBQNGSGKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.23
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  55.48
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  在 双氧水 、 dinitrogen tetraoxide 、 碳酸氢钠 作用下， 以 水 为溶剂， 生成
  参考文献：
  名称：

  Synthesis of nitroxide derivatives of alkylnitrosourea

  摘要：

  Nitroxide derivatives of alkylnitrosoureas were prepared by the reaction of amino nitroxide radicals with activated N-alkyl-N-nitrosocarbamates or by the selective reduction of oxoammonium derivatives of alkylnitrosoureas.

  DOI：

  10.1007/bf00698442
• 作为产物：
  描述：

  氯乙基异氰酸酯 、 4-(methylamino)-1-oxy-2,2,6,6-tetramethylpiperidine 以 乙醚 为溶剂， 反应 3.0h， 以99%的产率得到
  参考文献：
  名称：

  Oxidation and nitrosation of 4-(3-alkylureido)-2, 2, 6, 6-tetramethylpiperidine-1-oxyls to 4-(3-alkyl-3-nitrosoureido)-2, 2, 6, 6-tetramethyl-1-oxopiperidinium salts

  摘要：

  4-(3-Alkylureido)-2,2,6,6-tetramethylpiperidine-1-oxyls are rapidly oxidized by N2O4 or NOCl to 4-(3-alkylureido)-2,2,6,6-tetramethyl-1-oxopiperidinium nitrates and chlorides, which are then nitrosated to 4-(3-alkyl-3-nitrosoureido)-2,2,6,6-tetramethyl-1-oxopiperidinium salts. The perchlorates of the latter were prepared by an exchange reaction with HClO4. The nitrosation of alkylureidooxoammonium salts is the first example of chemical modification of oxoammonium derivatives in which the highly reactive >N+=O group is inert toward the reagent.

  DOI：

  10.1007/bf00698441

文献信息

• Oxidation and nitrosation of 4-(3-alkylureido)-2, 2, 6, 6-tetramethylpiperidine-1-oxyls to 4-(3-alkyl-3-nitrosoureido)-2, 2, 6, 6-tetramethyl-1-oxopiperidinium salts
  作者：V. D. Sen'、V. A. Golubev

  DOI：10.1007/bf00698441

  日期：1993.3

  4-(3-Alkylureido)-2,2,6,6-tetramethylpiperidine-1-oxyls are rapidly oxidized by N2O4 or NOCl to 4-(3-alkylureido)-2,2,6,6-tetramethyl-1-oxopiperidinium nitrates and chlorides, which are then nitrosated to 4-(3-alkyl-3-nitrosoureido)-2,2,6,6-tetramethyl-1-oxopiperidinium salts. The perchlorates of the latter were prepared by an exchange reaction with HClO4. The nitrosation of alkylureidooxoammonium salts is the first example of chemical modification of oxoammonium derivatives in which the highly reactive >N+=O group is inert toward the reagent.
• Synthesis of nitroxide derivatives of alkylnitrosourea
  作者：V. D. Sen'

  DOI：10.1007/bf00698442

  日期：1993.3

  Nitroxide derivatives of alkylnitrosoureas were prepared by the reaction of amino nitroxide radicals with activated N-alkyl-N-nitrosocarbamates or by the selective reduction of oxoammonium derivatives of alkylnitrosoureas.