1-[5-[4-[(4,6-Dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone | 1108704-88-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-[5-[4-[(4,6-Dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
• CAS: 1108704-88-6
• 化学式: C₃₃H₃₀N₈O₂
• 分子量: 570.654
• InChiKey: BVCNHAAZEASDCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  43
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  117
• 氢给体数：
  3
• 氢受体数：
  9

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 、 溶剂黄146 在 一水合肼 作用下， 以 1,4-二氧六环 为溶剂， 反应 6.0h， 以64%的产率得到1-[5-[4-[(4,6-Dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
  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