2-Amino-6-[4-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]phenyl]-4-(2-methoxyphenyl)pyridine-3-carbonitrile | 1108704-93-3

• 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
• 英文名称: 2-Amino-6-[4-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]phenyl]-4-(2-methoxyphenyl)pyridine-3-carbonitrile
• CAS: 1108704-93-3
• 化学式: C₃₄H₂₇N₉O
• 分子量: 577.648
• InChiKey: BIQPPACOXIKXOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  44
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  147
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2,4-bis-(phenylamino)-6-[4'-{3''-(2'''-methoxyphenyl)-1''-oxo-2''-propen-1''-yl}-phenylamino]-s-triazine 、 丙二腈 在 ammonium acetate 作用下， 以 乙醇 为溶剂， 反应 8.0h， 以69%的产率得到2-Amino-6-[4-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]phenyl]-4-(2-methoxyphenyl)pyridine-3-carbonitrile
  参考文献：
  名称：

  Synthesis of some new S-triazine based chalcones and their derivatives as potent antimicrobial agents

  摘要：

  Base catalysed condensation of ketone 5 with different aldehydes give chalcones, 2,4-bis-(phenylamino)-6-[4'-{3 ''-(4'''-substituted phenyl/2'''-furanyl/2'''-thienyl)-2 ''-propenon-1 ''-yl}phenylamino]-s-thriazines 6a-e. These chalcones on cyclization with hydrazine hydrate in the presence of glacial acetic acid, guanidine nitrate in the presence of alkali and malononitrile in the presence of ammonium acetate give the corresponding acetylpyrazolines 7a-e, aminopyrimidines 8a-e and cyanopyridines 9a-e respectively. The products 6a-e, 7a-e, 8a-e and 9a-e were fully characterized by spectroscopic and elemental analysis and also tested for antibacterial activity. (C) 2009 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2009.10.037

文献信息

• Synthesis of some new S-triazine based chalcones and their derivatives as potent antimicrobial agents
  作者：Anjani Solankee、Kishor Kapadia、Ana Ćirić、Marina Soković、Irini Doytchinova、Athina Geronikaki

  DOI：10.1016/j.ejmech.2009.10.037

  日期：2010.2

  Base catalysed condensation of ketone 5 with different aldehydes give chalcones, 2,4-bis-(phenylamino)-6-[4'-3 ''-(4'''-substituted phenyl/2'''-furanyl/2'''-thienyl)-2 ''-propenon-1 ''-yl}phenylamino]-s-thriazines 6a-e. These chalcones on cyclization with hydrazine hydrate in the presence of glacial acetic acid, guanidine nitrate in the presence of alkali and malononitrile in the presence of ammonium acetate give the corresponding acetylpyrazolines 7a-e, aminopyrimidines 8a-e and cyanopyridines 9a-e respectively. The products 6a-e, 7a-e, 8a-e and 9a-e were fully characterized by spectroscopic and elemental analysis and also tested for antibacterial activity. (C) 2009 Elsevier Masson SAS. All rights reserved.