N,N'-bis[(5-oxo-4-phenyl-4,5-dihydro-1,2,4-triazol-3-yl)ethyl]-1,4-phenylenediamine | 1210053-42-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N,N'-bis[(5-oxo-4-phenyl-4,5-dihydro-1,2,4-triazol-3-yl)ethyl]-1,4-phenylenediamine
• 英文别名: N,N'-bis[(4,5-dihydro-5-oxo-4-phenyl-1,2,4-triazol-3-yl)ethyl]-1,4-phenylene-diamine；3-[2-[4-[2-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)ethylamino]anilino]ethyl]-4-phenyl-1H-1,2,4-triazol-5-one
• CAS: 1210053-42-1
• 化学式: C₂₆H₂₆N₈O₂
• 分子量: 482.545
• InChiKey: LUCOHXRUYHVXIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  36
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  114
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N,N'-bis(phenylcarbamoyl)-N,N'-bis(phenylureidocarbamoylethyl)-1,4-phenylenediamine 在 potassium hydroxide 作用下， 以 水 为溶剂， 反应 4.0h， 以67%的产率得到N,N'-bis[(5-oxo-4-phenyl-4,5-dihydro-1,2,4-triazol-3-yl)ethyl]-1,4-phenylenediamine
  参考文献：
  名称：

  Synthesis of azoles based on N,N′-bis(hydrazinocarbonyl-ethyl)-1,4-phenylenediamine

  摘要：

  N,N'-Bis[(1-methyl-3-oxobutylidene)hydrazinocarbonylethyl]-, N,N'-bis[(2,5-dimethylpyrrol-1-yl)carbamoylethyl]-, N, N'-bis(phenylureidocarbamoylethyl)-, N, N'-bis(phenylcarbamoyl)-, N, N'-bis(phenylureidocarbamoylethyl)-, and N, N'-bis[(4,5-dihydro-5-oxo-4-phenyl-1,2,4-triazol-3-yl)ethyl]-1,4-phenylenediamines, and their thio analogs were obtained by the condensation of N, N'-bis( hydrazinocarbonylethyl)-1,4-phenylenediamine with 2,4-pentanedione, 2,5-hexanedione, phenyl isocyanates, or phenyl isothiocyanates (with subsequent treatment of the obtained semicarbazides with alkali), and carbon disulfide respectively.

  DOI：

  10.1007/s10593-009-0361-0