4-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-thione | 731-43-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-thione
• 英文别名: 5-phenyl-4-p-tolyl-2,4-dihydro-[1,2,4]triazol-3-one；5-phenyl-4-p-tolyl-2,4-dihydro-[1,2,4]triazol-3-one；5-Phenyl-4-p-tolyl-2,4-dihydro-[1,2,4]triazol-3-on；4-p-Tolyl-3-phenyl-1.2.4-triazolon-(5)；4-(4-methylphenyl)-3-phenyl-1H-1,2,4-triazol-5-one
• CAS: 731-43-1
• 化学式: C₁₅H₁₃N₃O
• 分子量: 251.288
• InChiKey: YAPBREKFVINEFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  44.7
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-thione 以 甲醇 为溶剂， 反应 1.0h， 以50%的产率得到4-(4-methylphenyl)-3-phenyl-4H-1,2,4-triazole
  参考文献：
  名称：

  4-(4-Methylphenyl)-3-phenyl-4H-1,2,4-triazole

  摘要：

  In the title compound, C15H13N3, the triazole ring is planar and forms dihedral angles of 35.05(5) and 65.44(5)degrees, respectively, with the attached phenyl and methylphenyl rings. The crystal structure is stabilized by a number of C-H ...pi interactions and weak CH ... N short contacts.

  DOI：

  10.1107/s0108270199002693
• 作为产物：
  描述：

  benzaldehyde-(4-p-tolyl semicarbazone) 在 potassium hexacyanoferrate(III) 作用下， 生成 4-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-thione
  参考文献：
  名称：

  Ramachander; Srinivasan, Current Science, 1959, vol. 28, p. 368

  摘要：

  DOI：

文献信息

• The rapid preparation of 2-aminosulfonamide-1,3,4-oxadiazoles using polymer-supported reagents and microwave heating
  作者：Ian R. Baxendale、Steven V. Ley、Marisa Martinelli

  DOI：10.1016/j.tet.2005.03.062

  日期：2005.5

  Herein, we report on the preparation of a library of 5-substituted-2-amino-1,3,4-oxadiazoles and the corresponding thiadiazole analogues. Presented is a one-pot preparation of the 2-ammosulfonylated analogues through a three component coupling of an acylhydrazine, an isocyanate and sulfonyl chloride promoted by a polymer-supported phosphazine base under microwave dielectric heating. Also described is the optimization process and details pertaining to the elucidation of the reaction products. (c) 2005 Elsevier Ltd. All rights reserved.
• MALISZEWSKA, ALICJA, ANN. UMCS. AA, 41,(1986(1989)) C. 63-67
  作者：MALISZEWSKA, ALICJA

  DOI：——

  日期：——
• AYCA E.; IKIZLER A. A.; SERDAR M., CHIM. ACTA TURC., 1981, 9, NO 1, 99-108
  作者：AYCA E.、 IKIZLER A. A.、 SERDAR M.

  DOI：——

  日期：——
• Ramachander; Srinivasan, Current Science, 1959, vol. 28, p. 368
  作者：Ramachander、Srinivasan

  DOI：——

  日期：——
• 4-(4-Methylphenyl)-3-phenyl-4<i>H</i>-1,2,4-triazole
  作者：K. Chinnakali、H.-K. Fun、A. Senthilvelan、K. Sriraghavan、V. T. Ramakrishnan

  DOI：10.1107/s0108270199002693

  日期：1999.7.15

  In the title compound, C15H13N3, the triazole ring is planar and forms dihedral angles of 35.05(5) and 65.44(5)degrees, respectively, with the attached phenyl and methylphenyl rings. The crystal structure is stabilized by a number of C-H ...pi interactions and weak CH ... N short contacts.