5-氨基-N-乙基-1H-1,2,4-三唑-1-甲酰胺 | 406205-21-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 5-氨基-N-乙基-1H-1,2,4-三唑-1-甲酰胺
• 英文名称: N-(3-amino(1,2,4-triazol-2-yl)-N'-ethyl)urea
• 英文别名: 5-Amino-N-ethyl-1H-1,2,4-triazole-1-carboxamide；5-amino-N-ethyl-1,2,4-triazole-1-carboxamide
• CAS: 406205-21-8
• 化学式: C₅H₉N₅O
• mdl: MFCD18807086
• 分子量: 155.159
• InChiKey: DQNVPACYUVSMBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  85.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-氨基-N-乙基-1H-1,2,4-三唑-1-甲酰胺 反应 0.25h， 生成 异氰酸乙酯
  参考文献：
  名称：

  Synthesis and Rheological Behavior of Cross-Linkable Poly[N-(methacryl-2-ethyl)-N‘-(3-amino(1,2,4-triazole-2-yl))urea-co-methyl methacrylate]

  摘要：

  A copolymer poly [N-(methacryl-2-ethyl)-N'-(3-amino(1,2,4-triazole-2-yl) urea)-co-methyl methacrylate] (1) with a low M-n value of about 1300 was prepared via free radical polymerization from the corresponding monomers N-methacrylethyl-N'-triazoyl urea (2) and methyl methacrylate (3). The complex viscosity of a solution of 1 in N-methyl pyrrolidone decreases with increasing temperature up to 32 degreesC at the beginning and then passes a minimum at 38 degreesC, At higher temperatures of about 53 degreesC, it decreases again. DSC measurements of this solution indicates phase transitions because of two endothermic signals from 32 to 44 degreesC and from 53 to 74 degreesC. Furthermore, the copolymer 1 starts to cross-link rapidly above 130 degreesC. The mechanism of this cross-linking reaction is discussed with respect to a back-formation of isocyanate intermediate that reacts with nucleophiles.

  DOI：

  10.1021/ma010828l
• 作为产物：
  描述：

  异氰酸乙酯 、 3-氨基-1,2,4-三氮唑 在 dibutyltin(II) dilaurate 作用下， 以 丙酮 为溶剂， 反应 6.0h， 以91%的产率得到5-氨基-N-乙基-1H-1,2,4-三唑-1-甲酰胺
  参考文献：
  名称：

  Synthesis and Rheological Behavior of Cross-Linkable Poly[N-(methacryl-2-ethyl)-N‘-(3-amino(1,2,4-triazole-2-yl))urea-co-methyl methacrylate]

  摘要：

  A copolymer poly [N-(methacryl-2-ethyl)-N'-(3-amino(1,2,4-triazole-2-yl) urea)-co-methyl methacrylate] (1) with a low M-n value of about 1300 was prepared via free radical polymerization from the corresponding monomers N-methacrylethyl-N'-triazoyl urea (2) and methyl methacrylate (3). The complex viscosity of a solution of 1 in N-methyl pyrrolidone decreases with increasing temperature up to 32 degreesC at the beginning and then passes a minimum at 38 degreesC, At higher temperatures of about 53 degreesC, it decreases again. DSC measurements of this solution indicates phase transitions because of two endothermic signals from 32 to 44 degreesC and from 53 to 74 degreesC. Furthermore, the copolymer 1 starts to cross-link rapidly above 130 degreesC. The mechanism of this cross-linking reaction is discussed with respect to a back-formation of isocyanate intermediate that reacts with nucleophiles.

  DOI：

  10.1021/ma010828l