N,N'-<1,4-piperazinediylbis(3,1-propanediyl)>bis-4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine | 110045-58-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: N,N'-<1,4-piperazinediylbis(3,1-propanediyl)>bis-4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine
• 英文别名: N,N'-[1,4-piperazinediylbis(3,1-propanediyl)]bis-4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine
• CAS: 110045-58-4
• 化学式: C₂₀H₂₂Cl₁₂N₁₀
• 分子量: 827.898
• InChiKey: IXJWAMADCZATEK-UHFFFAOYSA-N

物化性质

• 沸点：
  753.4±70.0 °C(Predicted)
• 密度：
  1.692±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.29
• 重原子数：
  42.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  107.88
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  1,4-双(3-氨基丙基)哌嗪 、 四异硫氰酸化硅 以 乙酸乙酯 为溶剂， 以26%的产率得到N,N'-<1,4-piperazinediylbis(3,1-propanediyl)>bis-4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine
  参考文献：
  名称：

  Antimalarial activity of 2-(substituted amino)-4,6-bis(trichloromethyl)-1,3,5-triazines and N-(chlorophenyl)-N'-[4-(substituted amino)-6-(trichloromethyl)-1,3,5-triazin-2-yl]guanidines

  摘要：

  A series of 2-[[(dialkylamino)alkyl]amino]-4,6-bis(trichloromethyl)-1,3,5-triazines (III) and N-(4-chlorophenyl)-N'-[4-[[(dialkylamino)alkyl]amino]-6- (trichloromethyl)-1,3,5-triazin-2-yl]guanidines (IV) were prepared from 2,4,6-tris(trichloromethyl)-1,3,5-triazine and 2-chloro-4,6-bis(trichloromethyl)-1,3,5-triazine. Compounds of type III showed modest antimalarial activity while XIa with the camoquin side chain was more potent. Analogues of type IV broadly exhibited modest antimalarial activity.

  DOI：

  10.1021/jm00394a002