4-[2-(1-cyano-2,2-bisphenylaminovinyl)thiazol-4-yl]-N,N-dimethylbenzenesulfonamide | 1180657-55-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[2-(1-cyano-2,2-bisphenylaminovinyl)thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
• 英文别名: 4-[2-(2,2-dianilino-1-cyanoethenyl)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
• CAS: 1180657-55-9
• 化学式: C₂₆H₂₃N₅O₂S₂
• 分子量: 501.633
• InChiKey: MUQZEXRFCFSTFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  135
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-[2-(1-cyano-2-methylsulfanyl-2-phenylaminovinyl)thiazol-4-yl]-N,N-dimethylbenzenesulfonamide 、 苯胺 以 乙醇 为溶剂， 反应 3.0h， 以70%的产率得到4-[2-(1-cyano-2,2-bisphenylaminovinyl)thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
  参考文献：
  名称：

  Heteroaromatization with Sulfonamido Phenyl Ethanone, Part II: Synthesis of Novel Thiazolyl Acetonitriles and Thiazolyl Acrylonitriles and Their Derivatives Containing Dimethylsulfonamide Moiety

  摘要：

  Thiazolyl acetonitrile (2) was prepared and converted to pyrazolo[5,1-c][1,2,4]triazine (5), thiazoline-4-one derivatives (10,12), thiazolo[3,2-a]pyridine (13), coumarin (14), and benzo[f]coumarin (16) derivatives through reactions with a variety of organic electrophiles and nucleophiles. Thiazolyl acrylonitrile derivatives (17, 18, 21, 26-28, 31-33) were also prepared, and their activity with a variety of reagents was investigated. The structure of these compounds was elucidated on the basis of elemental analysis, IR, 1H-NMR, and mass spectra. The antimicrobial and antifungal activities of the prepared compounds are also reported.

  DOI：

  10.1080/10426500802176523

文献信息

• Heteroaromatization with Sulfonamido Phenyl Ethanone, Part II: Synthesis of Novel Thiazolyl Acetonitriles and Thiazolyl Acrylonitriles and Their Derivatives Containing Dimethylsulfonamide Moiety
  作者：Saber M. Hassan、Mahmoud M. Abdel Aal、Ahmed A. El-Maghraby、Mahmoud S. Bashandy

  DOI：10.1080/10426500802176523

  日期：2009.2.3

  Thiazolyl acetonitrile (2) was prepared and converted to pyrazolo[5,1-c][1,2,4]triazine (5), thiazoline-4-one derivatives (10,12), thiazolo[3,2-a]pyridine (13), coumarin (14), and benzo[f]coumarin (16) derivatives through reactions with a variety of organic electrophiles and nucleophiles. Thiazolyl acrylonitrile derivatives (17, 18, 21, 26-28, 31-33) were also prepared, and their activity with a variety of reagents was investigated. The structure of these compounds was elucidated on the basis of elemental analysis, IR, 1H-NMR, and mass spectra. The antimicrobial and antifungal activities of the prepared compounds are also reported.