3-p-Toluidino-1.3-diphenylpyrazol | 36988-08-6

• 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-p-Toluidino-1.3-diphenylpyrazol
• 英文别名: (1,5-diphenyl-1H-pyrazol-3-yl)-p-tolyl-amine；1,5-diphenyl-3-(4-methyl-anilino)-pyrazole；N-(4-methylphenyl)-1,5-diphenylpyrazol-3-amine
• CAS: 36988-08-6
• 化学式: C₂₂H₁₉N₃
• 分子量: 325.413
• InChiKey: GZYMRBKKDKQLOO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  25
• 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：
  29.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-p-Toluidino-1.3-diphenylpyrazol 在 lead(IV) acetate 作用下， 以 苯 为溶剂， 以20%的产率得到3-(4-methylphenyl)amino-1,5-diphenyl-4-[(1,5-diphenylpyrazol-3-yl)-(4-methylphenyl)]amino-pyrazole
  参考文献：
  名称：

  Radical reactions of N-heterocyclic compounds, XV. Radial intermediates and end products of the oxidation of 3-anilino-1,5-diphenylpyrazoles with Pb(OAc)4

  摘要：

  Substituted 3-anilino-1,5-diphenylpyrazoles 1a-i were oxidized with Pb(OAc)(4) in benzene or CH2Cl2 solution. The ESR measurements confirmed the formation of aminyl radicals 3f-i from para-CH3 substituted pyrazoles 1f-i. The radical intermediates from unsubstituted pyrazoles 1a-e were assigned to triarylaminium cation radicals 6a-e. These were generated by consecutive oxidation of the dimeric products 4a-e whose structure was proven by NMR spectroscopy and N-15 labeling.

  DOI：

  10.1007/bf00807892

文献信息

• Schulz, Manfred; Moegel, Liena; Omelka, Ladislav, Journal fuer Praktische Chemie (Leipzig), 1986, vol. 328, # 2, p. 222 - 230
  作者：Schulz, Manfred、Moegel, Liena、Omelka, Ladislav、Tkac, Alexander

  DOI：——

  日期：——