(methacryl-2-ethyl)-N'-(3-amino(1,2,4-triazole-2-yl))urea

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (methacryl-2-ethyl)-N'-(3-amino(1,2,4-triazole-2-yl))urea
• 英文别名: 2-[(5-Amino-1,2,4-triazole-1-carbonyl)amino]ethyl 2-methylprop-2-enoate；2-[(5-amino-1,2,4-triazole-1-carbonyl)amino]ethyl 2-methylprop-2-enoate
• 化学式: C₉H₁₃N₅O₃
• 分子量: 239.234
• InChiKey: XPPLHXBWRRYLGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  甲基丙烯酸异氰基乙酯 、 3-氨基-1,2,4-三氮唑 在 dibutyltin(II) dilaurate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以69%的产率得到(methacryl-2-ethyl)-N'-(3-amino(1,2,4-triazole-2-yl))urea
  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