2,2,6,6-tetramethyl-4-aminomethylpiperidine-N-oxyl | 56674-44-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 2,2,6,6-tetramethyl-4-aminomethylpiperidine-N-oxyl
• 英文别名: 4-(aminomethyl)-2,2,6,6-tetramethylpiperidinooxyl；4-aminomethyl-2,2,6,6-tetramethylpiperidin-1-oxyl；4-(aminomethyl)-2,2,6,6-tetramethyl-1-oxy-piperidin-4-yl
• CAS: 56674-44-3
• 化学式: C₁₀H₂₁N₂O
• 分子量: 185.29
• InChiKey: WNCKQTLWVULZGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  30.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,2,6,6-tetramethyl-4-aminomethylpiperidine-N-oxyl 在 dinitrogen tetraoxide 作用下， 以 乙醚 、 氯仿 为溶剂， 反应 3.83h， 生成 1-(2-chloroethyl)-1-nitroso-3-[(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)methyl]urea;nitrate
  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

• Nitroxylcarbamoyl derivatives of 5-fluorouracil
  作者：V. D. Sen'、V. A. Golubev、G. N. Bogdanov

  DOI：10.1007/bf00962123

  日期：1989.10
• 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.
• Condensation products of 4-amino-2,2,6,6-tetramethylpiperidine and aminopiperidinoxyl radicals with aldehydes
  作者：V. A. Golubev、Yu. �. Rashba

  DOI：10.1007/bf00957716

  日期：1982.12
• Metal-nitroxyl interactions. 46. EPR spectra of low-spin iron(III) complexes of spin-labeled tetraphenylporphyrins and their implications for the interpretation of EPR spectra of spin-labeled cytochrome P450
  作者：Lee. Fielding、Kundalika M. More、Gareth R. Eaton、Sandra S. Eaton

  DOI：10.1021/ja00264a010

  日期：1986.2
• Manafova, R. A.; Mamedov, I. M.; Medzhidov, A. A., Journal of general chemistry of the USSR, 1980, vol. 50, # 6, p. 1107 - 1110
  作者：Manafova, R. A.、Mamedov, I. M.、Medzhidov, A. A.、Mamed''yarov, G. M.、Shakhtakhtinskii, T. N.

  DOI：——

  日期：——