N,O-bis-[(2,2,5,5-tetramethyl-1-oxylopyrrolin-3-yl)carbonyl]hydroxylamine | 1207504-62-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯啉
• 英文名称: N,O-bis-[(2,2,5,5-tetramethyl-1-oxylopyrrolin-3-yl)carbonyl]hydroxylamine
• CAS: 1207504-62-8
• 化学式: C₁₈H₂₇N₃O₅
• 分子量: 365.429
• InChiKey: TXAGFLOIKQUYHJ-UHFFFAOYSA-N

物化性质

• 熔点：
  156-158 °C(Solvent: Toluene)

计算性质

• 辛醇/水分配系数(LogP)：
  1.85
• 重原子数：
  26.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  101.68
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  N,O-bis-[(2,2,5,5-tetramethyl-1-oxylopyrrolin-3-yl)carbonyl]hydroxylamine 、 1H-吡咯-1-氧基,3-(氯羰基)-2,5-二氢-2,2,5,5-四甲基- 在 三乙胺 作用下， 以 乙腈 为溶剂， 以83%的产率得到3-{[(2,2,5,5-tetramethyl-1-oxylopyrrolin-3-yl)carbonyloxyimino][(2,2,5,5-tetramethyl-1-oxylopyrrolin-3-yl)carbonyloxy]methyl}-2,2,5,5-tetramethylpyrrolin-1-oxyl
  参考文献：
  名称：

  Synthesis and structure of products of hydroxylamine acylation with 3-carboxy-2,2,5,5-tetramethylpyrrolinoxyl derivatives

  摘要：

  The reaction of NH2OH with the derivatives of 2,2,5,5-tetramethylpyrrolin-1-oxyl-3-carboxylic acid in all events led to the formation of a mixture of the corresponding nitroxylhydroxamic acid with a stable O-acylhydroxylamine. The ratio between the products depends on the nature of the acylating agent and under the Studied conditions varies from similar to 5.5 : 1 to 1 : 3 indicating the comparable nucleophilicity in this reaction of N and O atoms in the hydroxylamine. The most active chloride of the mentioned acid alongside the indicated products afforded in a considerable yield N,O-diacylhydroxylamine and the triacylated hydroxylamine, 3-{[(2,2,5,5-tetramethyl-1-oxylopyrrolin-3-yl)carbonyloxyimino][(2,2,5,5-tetramethyl-1-oxylopyrrolin-3-yl)carbonyloxy]methyl}-2,2,5,5-tetramethylpyrrolin-1-oxyl. The structure of both latter compounds was established by XRD analysis.

  DOI：

  10.1134/s1070428009080132
• 作为产物：
  描述：

  3-(aminooxycarbonyl)-2,2,5,5-tetramethylpyrrolin-1-oxyl 、 3-[(乙氧基羰基)羰氧基]-2,5-二氢-2,2,5,5-四甲基-1H-吡咯-1-氧基 以 乙腈 为溶剂， 反应 96.0h， 以58%的产率得到N,O-bis-[(2,2,5,5-tetramethyl-1-oxylopyrrolin-3-yl)carbonyl]hydroxylamine
  参考文献：
  名称：

  Synthesis and structure of products of hydroxylamine acylation with 3-carboxy-2,2,5,5-tetramethylpyrrolinoxyl derivatives

  摘要：

  The reaction of NH2OH with the derivatives of 2,2,5,5-tetramethylpyrrolin-1-oxyl-3-carboxylic acid in all events led to the formation of a mixture of the corresponding nitroxylhydroxamic acid with a stable O-acylhydroxylamine. The ratio between the products depends on the nature of the acylating agent and under the Studied conditions varies from similar to 5.5 : 1 to 1 : 3 indicating the comparable nucleophilicity in this reaction of N and O atoms in the hydroxylamine. The most active chloride of the mentioned acid alongside the indicated products afforded in a considerable yield N,O-diacylhydroxylamine and the triacylated hydroxylamine, 3-{[(2,2,5,5-tetramethyl-1-oxylopyrrolin-3-yl)carbonyloxyimino][(2,2,5,5-tetramethyl-1-oxylopyrrolin-3-yl)carbonyloxy]methyl}-2,2,5,5-tetramethylpyrrolin-1-oxyl. The structure of both latter compounds was established by XRD analysis.

  DOI：

  10.1134/s1070428009080132