5-butyl-1,3-diphenyl-1H-1,2,4-triazole | 93870-85-0

• 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-butyl-1,3-diphenyl-1H-1,2,4-triazole
• 英文别名: 5-butyl-1,3-diphenyl-1,2,4-triazole
• CAS: 93870-85-0
• 化学式: C₁₈H₁₉N₃
• 分子量: 277.369
• InChiKey: MNSBJXJKEKVPEY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  5-((Z)-Buta-1,3-dienyl)-1,3-diphenyl-1H-[1,2,4]triazole 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 生成 5-butyl-1,3-diphenyl-1H-1,2,4-triazole
  参考文献：
  名称：

  A Pericyclic Cascade in the Addition of Diphenyl Nitrile Imine to Pyridine

  摘要：

  On refluxing in benzene in the presence of excess pyridine the monocycloadduct of diphenyl nitrile imine to pyridine smoothly undergoes a [1,5] sigmatropic shift and a subsequent electrocyclic opening to afford 1,2,4-triazole derivatives.

  DOI：

  10.3987/com-94-s70

文献信息

• Electrosynthesis of 1,3,5-trisubstituted 1,2,4-triazoles from phenylhydrazine, aldehydes and amines under mild conditions
  作者：Ling Yuan、Gao-Qing Yuan

  DOI：10.1016/j.tet.2022.132647

  日期：2022.1

  A simple and convenient method for the electrosynthesis of 1,3,5-trisubstituted 1,2,4-triazoles with three components of phenylhydrazine, aldehydes and amines has been established. The electrolysis could be smoothly carried out at room temperature without additional strong oxidants and catalysts to afford the target product in good yields. This electrochemical route effectively extends synthetic field

  建立了苯肼、醛和胺三组分电合成1,3,5-三取代1,2,4-三唑的简便方法。电解可以在室温下顺利进行，无需额外的强氧化剂和催化剂，以良好的收率得到目标产物。该电化学路线有效地扩展了1,2,4-三唑衍生物的合成领域。
• Electrochemical Cyclization of Hydrazones and Amidines To Access Trisubstituted 1,2,4-Triazoles
  作者：Dong Tang、Rui Jiang、Yangxiu Mu、Jing Hou、Yaya Wan、Yu Hong、Zhixiang Yang

  DOI：10.1055/a-2082-0918

  日期：2023.9

  A KI-mediated electrochemical method has been developed for the synthesis of trisubstituted 1,2,4-triazoles from easily accessible hydrazones and amidines derivatives. The protocol provides various aryl and alkyl 1,2,4-triazoles in moderate to good yields with good functional-group tolerance and without the need for any chemical oxidants in an undivided cell.

  开发了一种 KI 介导的电化学方法，用于从易于获得的腙和脒衍生物合成三取代的 1,2,4-三唑。该协议提供各种芳基和烷基 1,2,4-三唑，产量适中，具有良好的官能团耐受性，并且在未分裂的细胞中不需要任何化学氧化剂。