3-(2-Methylpropyl)-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione | 197806-37-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 3-(2-Methylpropyl)-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione
• CAS: 197806-37-4
• 化学式: C₁₇H₃₁N₅O₄
• 分子量: 369.464
• InChiKey: SQADTIUHNRWPGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  68.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-(2-Methylpropyl)-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione 在 三氟乙酸 作用下， 以 水 为溶剂， 生成 3-Isobutyl-[1,3,5]triazinane-2,4-dione
  参考文献：
  名称：

  Zum Reaktionsverhalten von 2,4-Dioxohexahydro-1,3,5-triazin

  摘要：

  2,4-Dioxohexahydro-1,3,5-triazin (DHT) reacts with formaldehyde and secondary amines (Mannich reaction) to the corresponding 1,3,5- or 1,5-aminomethyl-DHTs (1a-8a or 1b-11b). DHT and formaldehyde give the methylol compounds 12a, 12b, and 12c. Alkylation of DHT with alkyl halides in presence of base and dimethyl-sulfoxide as the solvent affords the tri-N-alkyl derivatives 14-22. 1,5-Dimorpholinomethyl-DHT (1b) can be alkylated in position 3 with alkyl halides. The morpholinomethyl groups in positions 1 and 5 behave as protecting groups and are easily removable. Thus, it is possible to introduce different alkyl substituents into the molecule. The reaction of 1b with dihaloalkanes results in a coupling of two DHT molecules via the nitrogen in position 3 (compounds 26-29).

  DOI：

  10.1007/bf00806856
• 作为产物：
  描述：

  1,5-Bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione 、 alkaline earth salt of/the/ methylsulfuric acid 在 氢氧化钾 作用下， 以 二甲基亚砜 为溶剂， 反应 0.5h， 以31%的产率得到3-(2-Methylpropyl)-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione
  参考文献：
  名称：

  Zum Reaktionsverhalten von 2,4-Dioxohexahydro-1,3,5-triazin

  摘要：

  2,4-Dioxohexahydro-1,3,5-triazin (DHT) reacts with formaldehyde and secondary amines (Mannich reaction) to the corresponding 1,3,5- or 1,5-aminomethyl-DHTs (1a-8a or 1b-11b). DHT and formaldehyde give the methylol compounds 12a, 12b, and 12c. Alkylation of DHT with alkyl halides in presence of base and dimethyl-sulfoxide as the solvent affords the tri-N-alkyl derivatives 14-22. 1,5-Dimorpholinomethyl-DHT (1b) can be alkylated in position 3 with alkyl halides. The morpholinomethyl groups in positions 1 and 5 behave as protecting groups and are easily removable. Thus, it is possible to introduce different alkyl substituents into the molecule. The reaction of 1b with dihaloalkanes results in a coupling of two DHT molecules via the nitrogen in position 3 (compounds 26-29).

  DOI：

  10.1007/bf00806856

表征谱图