N-Methyl-2-(4-methyl-3,5-dioxo-1-piperazinyl)acetamide | 146377-44-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-Methyl-2-(4-methyl-3,5-dioxo-1-piperazinyl)acetamide
• 英文别名: N-methyl-2-(4-methyl-3,5-dioxopiperazin-1-yl)acetamide
• CAS: 146377-44-8
• 化学式: C₈H₁₃N₃O₃
• 分子量: 199.21
• InChiKey: KFDAHTSXWOSQHC-UHFFFAOYSA-N

物化性质

• 沸点：
  441.3±40.0 °C(predicted)
• 密度：
  1.232±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  69.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-Methyl-2-(4-methyl-3,5-dioxo-1-piperazinyl)acetamide 在 ammonium hydroxide 作用下， 以80%的产率得到2-(Bis-methylcarbamoylmethyl-amino)-acetamide
  参考文献：
  名称：

  Facile synthesis of substituted nitrilotriacetamides

  摘要：

  Ligands which contain multiple amide groups represent interesting possibilities as chelating agents. We report here a facile synthesis and crystal structure of nitrilotriacetamide, 2, a neutral tetradentate ligand which we have been studying for metal complexation. Also described herein is a divergent synthesis of the mono, di- and trimethylated and dimethyl-monoalkyl derivatives of 2.

  DOI：

  10.1016/0040-4039(93)88040-p
• 作为产物：
  描述：

  N-甲基甲酰胺 、 次氮基三乙酸 以59%的产率得到N-Methyl-2-(4-methyl-3,5-dioxo-1-piperazinyl)acetamide
  参考文献：
  名称：

  Facile synthesis of substituted nitrilotriacetamides

  摘要：

  Ligands which contain multiple amide groups represent interesting possibilities as chelating agents. We report here a facile synthesis and crystal structure of nitrilotriacetamide, 2, a neutral tetradentate ligand which we have been studying for metal complexation. Also described herein is a divergent synthesis of the mono, di- and trimethylated and dimethyl-monoalkyl derivatives of 2.

  DOI：

  10.1016/0040-4039(93)88040-p