4-acetyl-5-(4,6-dimethylpyrimidin-2-yl)amino-1,2,3-triazole | 129959-32-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-acetyl-5-(4,6-dimethylpyrimidin-2-yl)amino-1,2,3-triazole
• 英文别名: 1-{5-[(4,6-dimethyl-2-pyrimidinyl)amino]-1H-1,2,3-triazol-4-yl}ethanone；1-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2H-triazol-4-yl]ethanone
• CAS: 129959-32-6
• 化学式: C₁₀H₁₂N₆O
• mdl: MFCD00445922
• 分子量: 232.245
• InChiKey: YYHFUFGJWGLHDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  96.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-amino-4-[(4,6-dimethylpyrimidin-2-yl)amino]but-3-en-2-one 在 对甲苯磺酰叠氮 作用下， 以 四氢呋喃 为溶剂， 反应 8.0h， 以94%的产率得到4-acetyl-5-(4,6-dimethylpyrimidin-2-yl)amino-1,2,3-triazole
  参考文献：
  名称：

  Synthesis of derivatives of 5-amino-4-acyl-1,2,3-triazole, 8-azapurine, and 1,2,3-triazolo[4,5-b]pyridin-7-one using N,N-acetals of acylketenes and tosylazide

  摘要：

  By reaction of N,N-acetals of acylketenes with tosylazide there were synthesized 5-amino-4-acyl-1,2,3-triazoles substituted at the endo(N1)- or exocyclic nitrogen atom. Triazoles containing a free NH2 group were used in the synthesis of the corresponding 8-azapurines and 4-acetyl-5-benzoylamino-1,2,3-triazole afforded 2-methyl-2H,4H-1,2,3-triazolo[4,5-b]pyridin-7-one.

  DOI：

  10.1007/bf00962394

文献信息

• Synthesis of derivatives of 5-amino-4-acyl-1,2,3-triazole, 8-azapurine, and 1,2,3-triazolo[4,5-b]pyridin-7-one using N,N-acetals of acylketenes and tosylazide
  作者：M. F. Gordeev、A. V. Komkov、V. S. Bogdanov、V. A. Dorokhov

  DOI：10.1007/bf00962394

  日期：1990.6

  By reaction of N,N-acetals of acylketenes with tosylazide there were synthesized 5-amino-4-acyl-1,2,3-triazoles substituted at the endo(N1)- or exocyclic nitrogen atom. Triazoles containing a free NH2 group were used in the synthesis of the corresponding 8-azapurines and 4-acetyl-5-benzoylamino-1,2,3-triazole afforded 2-methyl-2H,4H-1,2,3-triazolo[4,5-b]pyridin-7-one.