2-phenyl-1,2,4-triazino[2,3-a]benzimidazol-3(4H)-one | 40697-80-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2-phenyl-1,2,4-triazino[2,3-a]benzimidazol-3(4H)-one
• 英文别名: 2-Phenyl-as-triazino<2,3-a>benzimidazol-3(4H)-on；2-phenyl-4H-benzo[4,5]imidazo[1,2-b][1,2,4]triazin-3-one；2-phenyl-5H-[1,2,4]triazino[2,3-a]benzimidazol-3-one；2-phenyl-4H-[1,2,4]triazino[2,3-a]benzimidazol-3-one
• CAS: 40697-80-1
• 化学式: C₁₅H₁₀N₄O
• 分子量: 262.271
• InChiKey: MAPDUSUZMGJKGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  59.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-amino-2-phenyl-1,2,4-triazino[2,3-a]benzimidazol-3(4H)-one 在 溶剂黄146 、 sodium nitrite 作用下， 以 水 为溶剂， 反应 0.5h， 以100%的产率得到2-phenyl-1,2,4-triazino[2,3-a]benzimidazol-3(4H)-one
  参考文献：
  名称：

  1-Amino-2-hydrazinobenzimidazole and its reactions with some carbonyl compounds

  摘要：

  1-Amino-2-hydrazinobenzimidazole was obtained for the first time by treating 1-aminobenzimidazole-2-sulfonic acid with hydrazine hydrate. This compound readily condensed with aromatic aldehydes involving both amino groups. The condensation with 2,4-pentanedione affords 1-amino-2-(3,5-dimethylpyrazol-1-yl)benzimidazole, and with alpha-ketoacids in glacial acetic acid yields mixtures of 10-acetylamino-3-R-1,2,4-triazino[4,3-a]benzimidazol-4(10H)-ones and 4-amino-2-R-1,2,4-triazino[2,3-a]benzimidazol-3(4H)-ones.

  DOI：

  10.1134/s1070428014050182

文献信息

• 1-Amino-2-hydrazinobenzimidazole and its reactions with some carbonyl compounds
  作者：T. A. Kuz’menko、V. V. Kuz’menko、L. N. Divaeva、A. S. Morkovnik、G. S. Borodkin

  DOI：10.1134/s1070428014050182

  日期：2014.5

  1-Amino-2-hydrazinobenzimidazole was obtained for the first time by treating 1-aminobenzimidazole-2-sulfonic acid with hydrazine hydrate. This compound readily condensed with aromatic aldehydes involving both amino groups. The condensation with 2,4-pentanedione affords 1-amino-2-(3,5-dimethylpyrazol-1-yl)benzimidazole, and with alpha-ketoacids in glacial acetic acid yields mixtures of 10-acetylamino-3-R-1,2,4-triazino[4,3-a]benzimidazol-4(10H)-ones and 4-amino-2-R-1,2,4-triazino[2,3-a]benzimidazol-3(4H)-ones.