5-(4-aminophenyl)-2,4-dihydro-4-phenyl-3H-1,2,4-triazol-3-one | 225659-03-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(4-aminophenyl)-2,4-dihydro-4-phenyl-3H-1,2,4-triazol-3-one
• 英文别名: 3-(4-aminophenyl)-4-phenyl-1H-1,2,4-triazol-5-one
• CAS: 225659-03-0
• 化学式: C₁₄H₁₂N₄O
• 分子量: 252.275
• InChiKey: XZCSQAZWQRCQDB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  70.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  乙酰乙酸乙酯 、 5-(4-aminophenyl)-2,4-dihydro-4-phenyl-3H-1,2,4-triazol-3-one 在 盐酸 、 sodium acetate 、 sodium nitrite 作用下， 生成 ethyl 2-<4-(2,4-dihydro-4-phenyl-3H-1,2,4-triazol-3-on-5-yl)phenylhydrazono>-3-oxobutyrate
  参考文献：
  名称：

  Synthesis, characterization and antimicrobial evaluation of ethyl 2-arylhydrazono-3-oxobutyrates

  摘要：

  Ethyl 2-arylhydrazono-3-oxobutyrates 6a-f, 5-(4-aminophenyl)-2,4-dihydro-4-phenyl-3H-1,2,4-triazole-3-one 5d and 1-[4-(benzoylamino)benzoyI]-4-phenylsemicarbazide 4d were synthesized in order to determine their antimicrobial properties. Their structures were elucidated using spectral data. The synthesized compounds were tested in vitro against one Gram-positive and 2 Gram-negative bacterial strains, one Mycobacterial strain and a fungus Candida albicans. Compound 6d showed significant activity against Staphylococcus aureus whereas the others had no remarkable activity on this strain. Componnd 6e was found to be more active than the others against Mycobacterium fortuitum at a MIC value of 32 mu g/mL. The antibacterial and antifungal activities of ld, 5d and 6a-f were also compared with various standard drugs. (C) Elsevier, Paris.

  DOI：

  10.1016/s0223-5234(99)80048-8
• 作为产物：
  描述：

  苯甲酸,4-(苯甲酰氨基)-,酰肼 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 6.0h， 生成 5-(4-aminophenyl)-2,4-dihydro-4-phenyl-3H-1,2,4-triazol-3-one
  参考文献：
  名称：

  Synthesis, characterization and antimicrobial evaluation of ethyl 2-arylhydrazono-3-oxobutyrates

  摘要：

  Ethyl 2-arylhydrazono-3-oxobutyrates 6a-f, 5-(4-aminophenyl)-2,4-dihydro-4-phenyl-3H-1,2,4-triazole-3-one 5d and 1-[4-(benzoylamino)benzoyI]-4-phenylsemicarbazide 4d were synthesized in order to determine their antimicrobial properties. Their structures were elucidated using spectral data. The synthesized compounds were tested in vitro against one Gram-positive and 2 Gram-negative bacterial strains, one Mycobacterial strain and a fungus Candida albicans. Compound 6d showed significant activity against Staphylococcus aureus whereas the others had no remarkable activity on this strain. Componnd 6e was found to be more active than the others against Mycobacterium fortuitum at a MIC value of 32 mu g/mL. The antibacterial and antifungal activities of ld, 5d and 6a-f were also compared with various standard drugs. (C) Elsevier, Paris.

  DOI：

  10.1016/s0223-5234(99)80048-8