N-(2,4-dimethylphenyl)-5-oxo-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide | 1147202-24-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-(2,4-dimethylphenyl)-5-oxo-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
• CAS: 1147202-24-1
• 化学式: C₁₄H₁₅N₅O₂
• 分子量: 285.305
• InChiKey: DFDSXSIGTTWVGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  88.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-氨基-1,2,4-三氮唑 、 1-(2,4-二甲基苯基)-吡咯-2,5-二酮 反应 0.08h， 以42%的产率得到N-(2,4-dimethylphenyl)-5-oxo-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
  参考文献：
  名称：

  Reactions of N-arylmaleimides with 3-amino-1,2,4-triazole and 2-aminobenzimidazole

  摘要：

  AbstractThe reaction of 3‐amino‐1,2,4‐triazole (1) with N‐arylmaleimides leads to azolopyrimidines 4 and 5. The 2‐aminobenzimidazole (2) in the reaction with 3 gives the pyrimidobenzimidazoles 6. In similar conditions, the reaction of amine 2 with maleic anhydride (7) leads to formation of 2‐oxo‐1,2,3,4‐tetrahydropyrimido[1,2‐a]benzimidazole‐4‐carboxylic acid (8). The structures of 4, 5, 6, and 8 were proved by X‐Ray and NOE NMR measurements. J. Heterocyclic Chem., (2011)

  DOI：

  10.1002/jhet.660

文献信息

• Reactions of N-arylmaleimides with 3-amino-1,2,4-triazole and 2-aminobenzimidazole
  作者：Roman V. Rudenko、Sergey A. Komykhov、Vladimir I. Musatov、Irina S. Konovalova、Oleg V. Shishkin、Sergey M. Desenko

  DOI：10.1002/jhet.660

  日期：2011.7

  AbstractThe reaction of 3‐amino‐1,2,4‐triazole (1) with N‐arylmaleimides leads to azolopyrimidines 4 and 5. The 2‐aminobenzimidazole (2) in the reaction with 3 gives the pyrimidobenzimidazoles 6. In similar conditions, the reaction of amine 2 with maleic anhydride (7) leads to formation of 2‐oxo‐1,2,3,4‐tetrahydropyrimido[1,2‐a]benzimidazole‐4‐carboxylic acid (8). The structures of 4, 5, 6, and 8 were proved by X‐Ray and NOE NMR measurements. J. Heterocyclic Chem., (2011)