5-phenyl-4,5-dihydro-3H-1,2,4-triazol-3-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-phenyl-4,5-dihydro-3H-1,2,4-triazol-3-one
• 英文别名: 3-phenyl-1,2,4-triazol-5-one；3-Phenyl-3,4-dihydro-1,2,4-triazol-5-one
• 化学式: C₈H₇N₃O
• 分子量: 161.163
• InChiKey: OEOLYHPXIMTFSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  53.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-phenyl-4,5-dihydro-3H-1,2,4-triazol-3-one 在 吡啶 、 hydrazine hydrate 作用下， 反应 8.0h， 生成 5-phenyl-1H-[1,2,4]triazolo[3,4-c][1,2,4]triazole-3-thiol
  参考文献：
  名称：

  有效合成一些新的分离和融合的三唑衍生物

  摘要：

  便捷高效的途径 5-肼基-3-苯基-3 H- [1,2,4]三唑 从三唑-3-一的反应 描述了水合肼。另外，分离的和稠合的三唑衍生物的形成是通过以下反应制备的： 与一些在碱性介质中选择的亲电子试剂。

  DOI：

  10.1002/jhet.1110
• 作为产物：
  描述：

  苯甲醛 、 alkaline earth salt of/the/ methylsulfuric acid 在 哌啶 、 三乙胺 作用下， 以 乙醇 为溶剂， 反应 8.0h， 生成 5-phenyl-4,5-dihydro-3H-1,2,4-triazol-3-one
  参考文献：
  名称：

  Facile Route for the Synthesis of Pyridazine Derivatives: Unexpected Pathway to Benzothiazole, Benzimidazole, and Triazole Derivatives

  摘要：

  4-Amino-5-arylmethylidene-3-phenyl-pyridazin-6-ones 7 have been synthesized and reacted with selected nucleophile reagents such as phenyl hydrazine, semicarbazide, semithiocarbazide, cyanoacetohydrazide, 2-aminothiophenol, and 2-phenylenediamine in ethanol triethyl-amine solution. An unexpected 1-phenyl-3-arylaziridene 10, 3-aryl-5-oxo(thio)-1,2,4-triazole 21, 4-amino-3-aryl-6-hydroxy-pridazine 27, 2-arylbenzothiazole 30a-c, and 2-arylbenzimidazole 30d-f have been obtained, respectively. Also, 2-aminothiophenol and 2-phenylenediamine were reacted with N -phenylmethylidene-2-cyanoacetohydrazide 2, affording the new 1,4-benzodiazepine derivatives 35.

  DOI：

  10.1080/00397910500328845

文献信息

• Facile Route for the Synthesis of Pyridazine Derivatives: Unexpected Pathway to Benzothiazole, Benzimidazole, and Triazole Derivatives
  作者：Eman A. El Rady

  DOI：10.1080/00397910500328845

  日期：2006.2

  4-Amino-5-arylmethylidene-3-phenyl-pyridazin-6-ones 7 have been synthesized and reacted with selected nucleophile reagents such as phenyl hydrazine, semicarbazide, semithiocarbazide, cyanoacetohydrazide, 2-aminothiophenol, and 2-phenylenediamine in ethanol triethyl-amine solution. An unexpected 1-phenyl-3-arylaziridene 10, 3-aryl-5-oxo(thio)-1,2,4-triazole 21, 4-amino-3-aryl-6-hydroxy-pridazine 27, 2-arylbenzothiazole 30a-c, and 2-arylbenzimidazole 30d-f have been obtained, respectively. Also, 2-aminothiophenol and 2-phenylenediamine were reacted with N -phenylmethylidene-2-cyanoacetohydrazide 2, affording the new 1,4-benzodiazepine derivatives 35.
• An Efficient Synthesis of Some New Isolated and Fused Triazole Derivatives
  作者：Eman A. El Rady

  DOI：10.1002/jhet.1110

  日期：2013.2

  A facile and efficient route to 5-hydrazinyl-3-phenyl-3H-[1,2,4]triazole from the reaction of triazol-3-one and hydrazine hydrate is described. In addition, the formation of isolated and fused triazole derivatives was prepared via reaction of with some selected electrophilic reagents in basic medium.

  便捷高效的途径 5-肼基-3-苯基-3 H- [1,2,4]三唑 从三唑-3-一的反应 描述了水合肼。另外，分离的和稠合的三唑衍生物的形成是通过以下反应制备的： 与一些在碱性介质中选择的亲电子试剂。