(N,N',N,N')-N,N'-(2,2'-(butane-1,4-diylbis(oxy))bis(2,1-phenylene))bis(methan-1-yl-1-ylidene)bis(3,5-diethyl-4H-1,2,4-triazol-4-amine) | 1421161-65-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (N,N',N,N')-N,N'-(2,2'-(butane-1,4-diylbis(oxy))bis(2,1-phenylene))bis(methan-1-yl-1-ylidene)bis(3,5-diethyl-4H-1,2,4-triazol-4-amine)
• 英文别名: N-(3,5-diethyl-1,2,4-triazol-4-yl)-1-[2-[4-[2-[(3,5-diethyl-1,2,4-triazol-4-yl)iminomethyl]phenoxy]butoxy]phenyl]methanimine
• CAS: 1421161-65-0
• 化学式: C₃₀H₃₈N₈O₂
• 分子量: 542.684
• InChiKey: WTRZKBQRTHGYDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.12
• 重原子数：
  40.0
• 可旋转键数：
  15.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  104.6
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  (N,N',N,N')-N,N'-(2,2'-(butane-1,4-diylbis(oxy))bis(2,1-phenylene))bis(methan-1-yl-1-ylidene)bis(3,5-diethyl-4H-1,2,4-triazol-4-amine) 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 0.33h， 以50%的产率得到
  参考文献：
  名称：

  Synthesis, antibacterial, antielastase, antiurease and antioxidant activities of new 1,4-butylene bridged bis-1,2,4-triazole derivatives

  摘要：

  A new bis schiffbases, 3 a-b were synthesized compound 2 with various bis aldehydes. Compounds 3 a-b have been reduced with NaBH4 to afford the corresponding bis amino triazole compounds 4 a-b. The obtained products 3 a-b and 4 a-b were identified by FTIR, H-1-NMR, C-13-NMR. A series of triazol derivatives were evaluated for their antibacterial, antioxidant, antiurease and antielastase activities. The results showed that the synthesized new bis-1,2,4-triazole derivatives had effective antioxidant, antiurease and antielastase activities.

  DOI：

  10.3109/14756366.2011.636359
• 作为产物：
  描述：

  3,5-二乙基-1,2,4-三唑-4-胺 、 2,2-(1,4-丁烷二基二氧基)双苯甲醛 在 溶剂黄146 作用下， 反应 16.0h， 以65%的产率得到(N,N',N,N')-N,N'-(2,2'-(butane-1,4-diylbis(oxy))bis(2,1-phenylene))bis(methan-1-yl-1-ylidene)bis(3,5-diethyl-4H-1,2,4-triazol-4-amine)
  参考文献：
  名称：

  Synthesis, antibacterial, antielastase, antiurease and antioxidant activities of new 1,4-butylene bridged bis-1,2,4-triazole derivatives

  摘要：

  A new bis schiffbases, 3 a-b were synthesized compound 2 with various bis aldehydes. Compounds 3 a-b have been reduced with NaBH4 to afford the corresponding bis amino triazole compounds 4 a-b. The obtained products 3 a-b and 4 a-b were identified by FTIR, H-1-NMR, C-13-NMR. A series of triazol derivatives were evaluated for their antibacterial, antioxidant, antiurease and antielastase activities. The results showed that the synthesized new bis-1,2,4-triazole derivatives had effective antioxidant, antiurease and antielastase activities.

  DOI：

  10.3109/14756366.2011.636359