4-(1-methylbenzimidazol-2-yl)-5-cyano-1,6-dihydro-6-imin-3-(phenylsulfonyl)-1-(4-methylphenyl)pyridazine | 1591908-25-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(1-methylbenzimidazol-2-yl)-5-cyano-1,6-dihydro-6-imin-3-(phenylsulfonyl)-1-(4-methylphenyl)pyridazine
• CAS: 1591908-25-6
• 化学式: C₂₆H₂₀N₆O₂S
• 分子量: 480.55
• InChiKey: DKYLDGHRPKSQCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.92
• 重原子数：
  35.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  117.42
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  1-(1-methyl-1H-benzimidazol-2-yl)-2-(phenylsulfonyl)-1-ethanone 在 哌啶 、 sodium acetate 作用下， 以 乙醇 为溶剂， 反应 10.67h， 生成 4-(1-methylbenzimidazol-2-yl)-5-cyano-1,6-dihydro-6-imin-3-(phenylsulfonyl)-1-(4-methylphenyl)pyridazine
  参考文献：
  名称：

  Synthesis of Novel Benzimidazole and Benzothiazole Derivatives

  摘要：

  1-(Benzothiazol-2-yl)-2-phenylsulfonyl-1-ethanone (1) and 1-(1-methyl-1H-benzimidazol-2-yl)-2-(phenylsulfonyl)-1-ethanone (2) were used as potential scaffolds for biologically interesting azoloazine derivatives via their reaction with the diazonium salts of 5-aminopyrazole, 5-amino[1,2,4]triazole and 2-aminobenzimidazole. Coupling of the beta-ketosulfones 1 or 2 with diazotized aromatic amines afforded the corresponding arylhydrazone derivatives which have been utilized as versatile building blocks for the synthesis of biologically interesting pyridazine ring systems.

  DOI：

  10.3987/com-13-12873