4-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione
• 化学式: C₂₀H₂₂Cl₂N₆OS
• 分子量: 465.406
• InChiKey: XBMYZQQBURDSQL-FSJBWODESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  82.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5-(2,4-二氯苯基)糠醛 在 硫酸 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 反应 4.0h， 生成 4-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione
  参考文献：
  名称：

  Studies on arylfuran derivatives

  摘要：

  A series of 3-substituted-4-[5-(2,4-dichlorophenyl)-2-furfurylidine]amino-5-me rcapto-1, 2,4-triazoles (3) are synthesised. Aminomethylation of 3 with formaldehyde and a primary/secondary amine furnished Mannich bases 4 and 5. Both Schiff bases 3 and Mannich bases 4 and 5 are characterised on the basis of IR, 1H NMR, mass spectral data and elemental analysis. All the newly synthesised compounds are tested for their antibacterial activities. Some of the selected compounds are also tested for their fungicidal and herbicidal properties.

  DOI：

  10.1016/s0014-827x(00)00033-1

文献信息

• Studies on arylfuran derivatives
  作者：B Shivarama Holla、B Sooryanarayana Rao、K Shridhara、P.M Akberali

  DOI：10.1016/s0014-827x(00)00033-1

  日期：2000.5

  A series of 3-substituted-4-[5-(2,4-dichlorophenyl)-2-furfurylidine]amino-5-me rcapto-1, 2,4-triazoles (3) are synthesised. Aminomethylation of 3 with formaldehyde and a primary/secondary amine furnished Mannich bases 4 and 5. Both Schiff bases 3 and Mannich bases 4 and 5 are characterised on the basis of IR, 1H NMR, mass spectral data and elemental analysis. All the newly synthesised compounds are tested for their antibacterial activities. Some of the selected compounds are also tested for their fungicidal and herbicidal properties.