2-氨基-6-(4-溴苯胺基)-4-苯基吡啶-3,5-二腈 | 920983-17-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 2-氨基-6-(4-溴苯胺基)-4-苯基吡啶-3,5-二腈
• 英文名称: 2-(4-bromophenylamino)-6-amino-4-phenylpyridine-3,5-dicarbonitrile
• 英文别名: 2-Amino-6-(4-bromoanilino)-4-phenylpyridine-3,5-dicarbonitrile；2-amino-6-(4-bromoanilino)-4-phenylpyridine-3,5-dicarbonitrile
• CAS: 920983-17-1
• 化学式: C₁₉H₁₂BrN₅
• 分子量: 390.242
• InChiKey: BCDXWMXEHKYCTK-UHFFFAOYSA-N

物化性质

• 沸点：
  568.4±50.0 °C(Predicted)
• 密度：
  1.59±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  98.5
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  苯甲醛 在 zinc(II) chloride 作用下， 以 乙醇 为溶剂， 反应 5.0h， 生成 2-氨基-6-(4-溴苯胺基)-4-苯基吡啶-3,5-二腈
  参考文献：
  名称：

  A new and efficient ZnCl2-catalyzed synthesis and biological evaluation of novel 2-amino-3,5-dicyano-4-aryl-6-aryl-aminopyridines as potent antibacterial agents against Helicobacter pylori (HP)

  摘要：

  Here a new and efficient method via ZnCl2-catalyzed direct cyclization of diverse benzylidenemalononitriles and arylamines has been developed. With this method, a variety of novel 2-amino-3,5-dicyano-4-aryl-6-aryl-aminopyridines (2a-2v) could be easily prepared under the mild conditions with board substrate/functional group tolerance and decent product yields. The biological activities of the selected compounds (2c, 2e, 2g, 2i, 2k, 2m, 2n and 20) has also been evaluated as new antibacterial agents. The results demonstrated that almost all of the compounds had more potent antibacterial activities against HP than that of clinically used drugs, Ornidazole, Metronidazole, Nitrimidazine and Clarithromycin, suggesting that further development of such compounds might be of great interest. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2015.09.018