2-[4-(dimethylamino)benzylidene]-3-oxo-N-[4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl]butanamide | 1355217-04-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 2-[4-(dimethylamino)benzylidene]-3-oxo-N-[4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl]butanamide
• CAS: 1355217-04-7
• 化学式: C₂₅H₂₁N₃O₄S
• 分子量: 459.525
• InChiKey: CPCLHRQFTFTACC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.59
• 重原子数：
  33.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  92.51
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  2-[4-(dimethylamino)benzylidene]-3-oxo-N-[4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl]butanamide 、 2-氨基苯硫醇 在 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 0.21h， 以88%的产率得到2-[4-(dimethylamino)phenyl]-4-methyl-N-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)-2,3-dihydrobenzo[b][1,4]thiazepine-3-carboxamide
  参考文献：
  名称：

  A Convenient, Rapid Microwave-Assisted Synthesis of 2-Substituted Phenyl-2,3-Dihydrobenzo[B][1,4]Thiazepine-3-Carboxamide Derivatives and Its Antimicrobial Activity

  摘要：

  Using an environmentally benign procedure under microwave irradiation, a variety of 4-methyl-N-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)-2-substituted phenyl-2,3-dihydrobenzo [b][1,4]thiazepine-3-carboxamide compounds were synthesized from 2-arylidene-3-oxo-N-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)butanamide. Structures of these compounds were confirmed by IR, NMR (H-1 & C-13), and mass spectral analyses. Also, a considerable increase in the reaction rate has been observed with better yield in the microwave technique. The newly synthesized compounds were evaluated for antimicrobial activity against a variety of bacterial strains, and some of these compounds have shown significant antibacterial and antifungal activities.

  DOI：

  10.1080/10426507.2011.597800
• 作为产物：
  描述：

  3-(2-氨基-1,3-噻唑)-2h-色烯-2-酮氢溴酸 在 sodium hydroxide 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.07h， 生成 2-[4-(dimethylamino)benzylidene]-3-oxo-N-[4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl]butanamide
  参考文献：
  名称：

  A Convenient, Rapid Microwave-Assisted Synthesis of 2-Substituted Phenyl-2,3-Dihydrobenzo[B][1,4]Thiazepine-3-Carboxamide Derivatives and Its Antimicrobial Activity

  摘要：

  Using an environmentally benign procedure under microwave irradiation, a variety of 4-methyl-N-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)-2-substituted phenyl-2,3-dihydrobenzo [b][1,4]thiazepine-3-carboxamide compounds were synthesized from 2-arylidene-3-oxo-N-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)butanamide. Structures of these compounds were confirmed by IR, NMR (H-1 & C-13), and mass spectral analyses. Also, a considerable increase in the reaction rate has been observed with better yield in the microwave technique. The newly synthesized compounds were evaluated for antimicrobial activity against a variety of bacterial strains, and some of these compounds have shown significant antibacterial and antifungal activities.

  DOI：

  10.1080/10426507.2011.597800