1-(benzothiazol-2-yl)-2-(2-(4-chlorophenyl)-hydrazono)-2-(phenylsulfonyl)ethanone | 1591908-09-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 1-(benzothiazol-2-yl)-2-(2-(4-chlorophenyl)-hydrazono)-2-(phenylsulfonyl)ethanone
• CAS: 1591908-09-6
• 化学式: C₂₁H₁₄ClN₃O₃S₂
• 分子量: 455.945
• InChiKey: CYXNWGRZBUVUKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.03
• 重原子数：
  30.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  88.49
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  苯并噻唑-2-乙腈 、 1-(benzothiazol-2-yl)-2-(2-(4-chlorophenyl)-hydrazono)-2-(phenylsulfonyl)ethanone 在 哌啶 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以65%的产率得到6-(benzenesulfonyl)-4,5-bis(1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)-2,3-dihydropyridazin-3-imine
  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
• 作为产物：
  描述：

  1-(1,3-苯并噻唑-2-基)-2-溴-1-乙酮 在 sodium acetate 作用下， 以 乙醇 为溶剂， 反应 9.67h， 生成 1-(benzothiazol-2-yl)-2-(2-(4-chlorophenyl)-hydrazono)-2-(phenylsulfonyl)ethanone
  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