4-tert-butyl-3-phenethyl-4H-1,2,4-triazole | 1380492-57-8

• 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: 4-tert-butyl-3-phenethyl-4H-1,2,4-triazole
• 英文别名: 4-Tert-butyl-3-(2-phenylethyl)-1,2,4-triazole；4-tert-butyl-3-(2-phenylethyl)-1,2,4-triazole
• CAS: 1380492-57-8
• 化学式: C₁₄H₁₉N₃
• 分子量: 229.325
• InChiKey: FFWORNNJIKHGPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 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：

  2-phenethyl-1,3,4-oxadiazole 、 叔丁胺 在 吡啶醋酸盐 作用下， 反应 20.0h， 以55%的产率得到4-tert-butyl-3-phenethyl-4H-1,2,4-triazole
  参考文献：
  名称：

  Tunable protic ionic liquids as solvent-catalysts for improved synthesis of multiply substituted 1,2,4-triazoles from oxadiazoles and organoamines

  摘要：

  More than green alternatives to traditional volatile molecular organic solvents, protic ionic liquids as dual solvent-catalysts have been successfully used to promote reactions of organoamines with oxadiazoles to afford sterically hindered 1,2,4-triazoles. Among the tested protic ionic liquids, pyridinium trifluoroacetate and acetate showed the highest efficiency for the reactions of arylamines and alkylamines, respectively, indicating that tunable catalysis could be readily effected with protic ionic liquid solvent-catalysts by simply tuning their cation and anion counterparts. A general and efficient approach has been developed for synthesis of multiply substituted 1,2,4-triazoles based on the tunable protic ionic liquid solvent-catalyst systems. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.03.114

文献信息

• Tunable protic ionic liquids as solvent-catalysts for improved synthesis of multiply substituted 1,2,4-triazoles from oxadiazoles and organoamines
  作者：Xiaofeng Chen、Rui Liu、Yuan Xu、Gang Zou

  DOI：10.1016/j.tet.2012.03.114

  日期：2012.6

  More than green alternatives to traditional volatile molecular organic solvents, protic ionic liquids as dual solvent-catalysts have been successfully used to promote reactions of organoamines with oxadiazoles to afford sterically hindered 1,2,4-triazoles. Among the tested protic ionic liquids, pyridinium trifluoroacetate and acetate showed the highest efficiency for the reactions of arylamines and alkylamines, respectively, indicating that tunable catalysis could be readily effected with protic ionic liquid solvent-catalysts by simply tuning their cation and anion counterparts. A general and efficient approach has been developed for synthesis of multiply substituted 1,2,4-triazoles based on the tunable protic ionic liquid solvent-catalyst systems. (C) 2012 Elsevier Ltd. All rights reserved.