2-amino-5,8,8-trimethyl-8,9-dihydro[1,2,4]triazolo[1,5-a]quinazolin-6(7H)-one | 1192656-88-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-amino-5,8,8-trimethyl-8,9-dihydro[1,2,4]triazolo[1,5-a]quinazolin-6(7H)-one
• 英文别名: 2-amino-5,8,8-trimethyl-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one
• CAS: 1192656-88-4
• 化学式: C₁₂H₁₅N₅O
• mdl: MFCD17011163
• 分子量: 245.284
• InChiKey: JEUWBAYJWVTPNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  86.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-乙酰基-5,5-二甲基-1,3-环己二酮 、 3-氨基-5-苯基-1,2,4-三唑 反应 16.0h， 以66%的产率得到2-amino-5,8,8-trimethyl-8,9-dihydro[1,2,4]triazolo[1,5-a]quinazolin-6(7H)-one
  参考文献：
  名称：

  Synthesis of 8,9-dihydro[1,2,4]triazolo[1,5-a]-quinazolin-6(7H)-one derivatives

  摘要：

  Regioselectivity of the reactions of 1H-1,2,4-triazol-3-amines with 2-acyl-5,5-dimethylcyclohexane-1,3-diones and 2-dimethylaminomethylidene-5,5-dimethylcyclohexane-1,3-dione was studied. In all cases, the products were substituted 8,9-dihydro[1,2,4]triazolo[1,5-a]quinazolin-6(7H)-ones whose structure was determined by H-1 and C-13 NMR spectroscopy.

  DOI：

  10.1134/s1070428013040027

文献信息

• Synthesis of 8,9-dihydro[1,2,4]triazolo[1,5-a]-quinazolin-6(7H)-one derivatives
  作者：A. A. Petrov、A. N. Kasatochkin

  DOI：10.1134/s1070428013040027

  日期：2013.4

  Regioselectivity of the reactions of 1H-1,2,4-triazol-3-amines with 2-acyl-5,5-dimethylcyclohexane-1,3-diones and 2-dimethylaminomethylidene-5,5-dimethylcyclohexane-1,3-dione was studied. In all cases, the products were substituted 8,9-dihydro[1,2,4]triazolo[1,5-a]quinazolin-6(7H)-ones whose structure was determined by H-1 and C-13 NMR spectroscopy.