1-(4-Chlorophenyl)-2-[4-(3-pyrrolidin-1-ylpropylamino)-6-(trichloromethyl)-1,3,5-triazin-2-yl]guanidine | 110045-52-8

• 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: 1-(4-Chlorophenyl)-2-[4-(3-pyrrolidin-1-ylpropylamino)-6-(trichloromethyl)-1,3,5-triazin-2-yl]guanidine
• 英文别名: 1-(4-chlorophenyl)-2-[4-(3-pyrrolidin-1-ylpropylamino)-6-(trichloromethyl)-1,3,5-triazin-2-yl]guanidine
• CAS: 110045-52-8
• 化学式: C₁₈H₂₂Cl₄N₈
• 分子量: 492.238
• InChiKey: TTYQDUHUVDFCQA-UHFFFAOYSA-N

物化性质

• 沸点：
  592.9±60.0 °C(Predicted)
• 密度：
  1.56±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-(3-氨基丙基)吡咯烷 、 N-<4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl>-N'-(4-chlorophenyl)guanidine 以 苯 为溶剂， 反应 0.5h， 以48%的产率得到1-(4-Chlorophenyl)-2-[4-(3-pyrrolidin-1-ylpropylamino)-6-(trichloromethyl)-1,3,5-triazin-2-yl]guanidine
  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

文献信息

• 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
  作者：Leslie M. Werbel、Edward F. Elslager、Carolyn Hess、Marland P. Hutt

  DOI：10.1021/jm00394a002

  日期：1987.11

  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.