3-Phenyl-4-p-methoxyphenyl-1,2,4-triazol | 70208-16-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-Phenyl-4-p-methoxyphenyl-1,2,4-triazol
• 英文别名: 4-(4-methoxyphenyl)-3-phenyl-4H-1,2,4-triazole；4-(4-Methoxyphenyl)-3-phenyl-1,2,4-triazole
• CAS: 70208-16-1
• 化学式: C₁₅H₁₃N₃O
• 分子量: 251.288
• InChiKey: WFZUTNFRNZFKRQ-UHFFFAOYSA-N

物化性质

• 熔点：
  21.5-22.0 °C
• 沸点：
  441.8±47.0 °C(Predicted)
• 密度：
  1.17±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  39.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-methyl-N-(phenylsulfonyl)benzohydrazonoyl chloride 在 sodium hydride 作用下， 以 1,4-二氧六环 为溶剂， 反应 24.0h， 生成 3-Phenyl-4-p-methoxyphenyl-1,2,4-triazol
  参考文献：
  名称：

  Base-induced Dehydrosulfinatocyclization ofN-Alkyl-N-phenylsulfonyl-N″-arylbenzamidrazones to 3,4-Diaryl-4H-1,2,4-triazoles

  摘要：

  通过N-烷基-N-苯磺酰基-N″-芳基苯甲酰肼与氢化钠的反应，以良好至相当的产率得到了3,4-二芳基-4H-1,2,4-三唑。该反应可能经过苯亚磺酸的消除和由碱催化异构化中间体产生的N-亚烷基-N″-芳基苯甲酰肼的氧化环化过程。

  DOI：

  10.1246/bcsj.57.544

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.
• ITO, SUKETAKA;TANAKA, YUMO;KAKEHI, AKIKAZU, BULL. CHEM. SOC. JAP., 1984, 57, N 2, 544-547
  作者：ITO, SUKETAKA、TANAKA, YUMO、KAKEHI, AKIKAZU

  DOI：——

  日期：——
• KEVILL D. N.; PARK M.-G. A., TETRAHEDRON LETT., 1978, NO 47, 4629-4632
  作者：KEVILL D. N.、 PARK M.-G. A.

  DOI：——

  日期：——
• Base-induced Dehydrosulfinatocyclization of<i>N</i>-Alkyl-<i>N</i>-phenylsulfonyl-<i>N</i>″-arylbenzamidrazones to 3,4-Diaryl-4<i>H</i>-1,2,4-triazoles
  作者：Suketaka Ito、Yumo Tanaka、Akikazu Kakehi

  DOI：10.1246/bcsj.57.544

  日期：1984.2

  3,4-Diaryl-4H-1,2,4-triazoles were obtained in good to comparable yields by the reaction of N-alkyl-N-phenylsulfonyl-N″-arylbenzamidrazones with sodium hydride. The reaction probably proceeds via the elimination of benzenesulfinic acid and the oxidative cyclization of N-alkylidene-N″-arylbenzamidrazones generated by the base-catalyzed isomerization of azo intermediates.

  通过N-烷基-N-苯磺酰基-N″-芳基苯甲酰肼与氢化钠的反应，以良好至相当的产率得到了3,4-二芳基-4H-1,2,4-三唑。该反应可能经过苯亚磺酸的消除和由碱催化异构化中间体产生的N-亚烷基-N″-芳基苯甲酰肼的氧化环化过程。