1-(4-nitrophenyl)-3,5-diphenyl-1,2,4-triazole | 17355-69-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(4-nitrophenyl)-3,5-diphenyl-1,2,4-triazole
• 英文别名: 3,5-Diphenyl-1-(4-nitrophenyl)-1H-1,2,4-triazol；1-(4-Nitro-phenyl)-3.5-diphenyl-1.2.4-triazol；1-(4-nitro-phenyl)-3,5-diphenyl-1H-[1,2,4]triazole
• CAS: 17355-69-0
• 化学式: C₂₀H₁₄N₄O₂
• 分子量: 342.357
• InChiKey: YTYRNAGSJQGFAL-UHFFFAOYSA-N

物化性质

• 熔点：
  165-167 °C
• 沸点：
  577.0±52.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  76.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-苯基四氮唑 在 三乙胺 、 三氟乙酸 作用下， 以 溶剂黄146 、 苯 为溶剂， 反应 5.0h， 生成 1-(4-nitrophenyl)-3,5-diphenyl-1,2,4-triazole
  参考文献：
  名称：

  Butler, Richard N.; Fitzgerald, Kevin J., Journal of the Chemical Society. Perkin transactions I, 1988, p. 1587 - 1592

  摘要：

  DOI：

文献信息

• An Approach to 1-Aryl-1,2,4-triazoles
  作者：B. I. Buzykin、Z. A. Bredikhina

  DOI：10.1055/s-1993-25793

  日期：——

  A series of different 1,3,5-trisubstituted 1,2,4-triazoles 9 have been readily prepared by simple oxidation of corresponding N-alkylamide arylhydrazones (amidrazones) 5 with hydrogen peroxide or potassium permanganate.

  一系列不同的1,3,5-三取代1,2,4-噁唑9已经通过简单的氧化反应，通过过氧化氢或高锰酸钾，轻易地由相应的N-烷基酰胺芳基肼酮（酰肼）5制备而成。
• Hassaneen, Hamdi M.; Elwan, Nehal M.; Abdelhadi, Hyam A., Organic Preparations and Procedures International, 1994, vol. 26, # 5, p. 588 - 593
  作者：Hassaneen, Hamdi M.、Elwan, Nehal M.、Abdelhadi, Hyam A.、Fouad, Monther T.、Algharib, Mohammed S.

  DOI：——

  日期：——
• Wang, Yingchun; Yi, Xianghui; Qin, Wen, Asian Journal of Chemistry, 2012, vol. 24, # 1, p. 217 - 219
  作者：Wang, Yingchun、Yi, Xianghui、Qin, Wen

  DOI：——

  日期：——
• Novel Process for Synthesis of 1,2,4‐Triazoles: Ytterbium Triflate–Catalyzed Cyclization of Hydrazonyl Chlorides with Nitriles
  作者：Weike Su、Dianwen Yang、Jianjun Li

  DOI：10.1081/scc-200057976

  日期：2005.6

  A series of 1,3,5-trisubstituted 1,2,4-triazoles were synthesized via the intermolecular cyclization of hydrazonyl chlorides with nitriles catalyzed by ytterbium triflate [Yb(OTf)(3)]. The amount of catalysis was discussed and Yb(OTf)(3) could be reused without loss of activity.
• An Improved Synthesis of 1,2,4-Triazoles using Ag2CO3
  作者：K Paulvannan、Tao Chen、Ron Hale

  DOI：10.1016/s0040-4020(00)00726-2

  日期：2000.10

  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.