5-benzyl-1,3-diphenyl-1H-1,2,4-triazole | 51335-64-9

• 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-benzyl-1,3-diphenyl-1H-1,2,4-triazole
• 英文别名: 5-benzyl-1,3-diphenyl-1,2,4-triazole
• CAS: 51335-64-9
• 化学式: C₂₁H₁₇N₃
• 分子量: 311.386
• InChiKey: LMINGVJOZPZFRM-UHFFFAOYSA-N

物化性质

• 沸点：
  529.1±43.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 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：

  α-chlorobenzaldehyde phenylhydrazone 在 TEA 、 silver carbonate 作用下， 以 乙腈 为溶剂， 反应 12.0h， 生成 5-benzyl-1,3-diphenyl-1H-1,2,4-triazole
  参考文献：
  名称：

  An Improved Synthesis of 1,2,4-Triazoles using Ag2CO3

  摘要：

  An improved synthesis of 1,3,5-trisubstituted 1,2,4-triazoles via Ag2CO3 mediated cyclization of triazenes has been developed. This approach is flexible and compatible with a wide range of functional groups. The reaction was complete within 3 h and the products were isolated in moderate to high yields. The influence of the beta-substituents of the amines on the triazole formation was also studied. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00726-2

文献信息

• An Electrochemical Way to Generate Amphiphiles from Hydrazones for the Synthesis of 1,2,4‐Triazole Scaffold Cyclic Compounds
  作者：Wangyu Li、Mingteng Xiong、Xiao Liang、Dungai Wang、Heping Zhu、Yuanjiang Pan

  DOI：10.1002/open.202100268

  日期：2022.1

  Electrochemically forming amphiphiles, hydrazones were chosen as bifunctional reagents analogous to 1,3-dicarbonyl compounds. About 70 1,2,4-triazoles have been prepared in moderate to high yields, testifying to the validity and practicality of this strategy. This approach can also be conducted as a one-pot reaction without intermediate treatments for the construction of 1,2,4-triazoles by using phenylhydrazines

  通过电化学形成两亲物，腙被选为类似于 1,3-二羰基化合物的双功能试剂。大约70个1,2,4-三唑类化合物已以中等到高产率制备出来，证明了该策略的有效性和实用性。该方法也可以作为一锅反应进行，无需中间处理，以苯肼、苯甲醛和苄胺为起始原料构建1,2,4-三唑。
• 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。