3-氨基-5-甲基-4H-1,2,4-三唑盐酸盐 | 23350-30-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 3-氨基-5-甲基-4H-1,2,4-三唑盐酸盐
• 英文名称: 5-amino-3-methyl-4H-1,2,4-triazole hydrochloride
• 英文别名: 5-Methyl-4H-1,2,4-triazol-3-amine hydrochloride；5-methyl-1H-1,2,4-triazol-3-amine;hydrochloride
• CAS: 23350-30-3
• 化学式: C₃H₆N₄*ClH
• 分子量: 134.568
• InChiKey: PBIDYWHMJFILSZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.12
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  67.6
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-((3-exo)-3-((7-chloro-1,6-diazanaphthalen-5-yl)amino)-8-azabicyclo[3.2.1]oct-8-yl)propionitrile 、 3-氨基-5-甲基-4H-1,2,4-三唑盐酸盐 在 氯(2-二环己基膦基-2',4',6'-三异丙基-1,1'-联苯基)[2-(2'-氨基-1,1'-联苯)]钯(II) 、 caesium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 4.0h， 以10.5%的产率得到3-((3-exo)-3-((7-((5-methyl-1H-1,2,4-triazol-3-yl)amino)-1,6-diazanaphthalen-5-yl)amino)-8-azabicyclo[3.2.1]oct-8-yl)propionitrile
  参考文献：
  名称：

  EP3889152

  摘要：

  公开号：
• 作为产物：
  描述：

  acetic acid 2-guanylhydrazide hydrochloride 生成 3-氨基-5-甲基-4H-1,2,4-三唑盐酸盐
  参考文献：
  名称：

  Thermodynamic and kinetic aspects of a single-reactor synthesis of 5-amino-3-methyl-1,2,4-triazole hydrochloride from aminoguanidine and acetic acid

  摘要：

  Fundamental thermodynamic and kinetic aspects of the reaction in which acetic acid guanyl hydrazide is formed from aminoguanidine and acetic acid in aqueous solutions at pH 0.6-1.5 and the kinetics of cyclization of acetic acid guanyl hydrazide hydrochloride to 5-amino-3-methyl-1,2,4-triazole hydrochloride in a melt were studied. Methods for synthesis of acetic acid guanyl hydrazide hydrochlorides and 5-amino-3-methyl-1,2,4-triazole hydrochloride were developed.

  DOI：

  10.1134/s1070427211030116

文献信息

• EP3889152
  申请人：——

  公开号：——

  公开（公告）日：——
• Thermodynamic and kinetic aspects of a single-reactor synthesis of 5-amino-3-methyl-1,2,4-triazole hydrochloride from aminoguanidine and acetic acid
  作者：E. V. Tarasova、V. M. Chernyshev、A. V. Chernysheva、R. S. Abagyan

  DOI：10.1134/s1070427211030116

  日期：2011.3

  Fundamental thermodynamic and kinetic aspects of the reaction in which acetic acid guanyl hydrazide is formed from aminoguanidine and acetic acid in aqueous solutions at pH 0.6-1.5 and the kinetics of cyclization of acetic acid guanyl hydrazide hydrochloride to 5-amino-3-methyl-1,2,4-triazole hydrochloride in a melt were studied. Methods for synthesis of acetic acid guanyl hydrazide hydrochlorides and 5-amino-3-methyl-1,2,4-triazole hydrochloride were developed.