N-[4-(2,2-Dimethyl-5-oxo-2,5-dihydro-oxazol-4-yl)-thiazol-2-yl]-formamide | 145221-32-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-[4-(2,2-Dimethyl-5-oxo-2,5-dihydro-oxazol-4-yl)-thiazol-2-yl]-formamide
• CAS: 145221-32-5
• 化学式: C₉H₉N₃O₃S
• 分子量: 239.255
• InChiKey: ITINWAPTQLMZCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.79
• 重原子数：
  16.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  80.65
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  ethyl (2-formylamidothiazol-4-yl)-2-tosyloxyiminoacetate 、 丙酮 在 三乙胺 、 乙硫醇 作用下， 反应 120.0h， 以54%的产率得到N-[4-(2,2-Dimethyl-5-oxo-2,5-dihydro-oxazol-4-yl)-thiazol-2-yl]-formamide
  参考文献：
  名称：

  Reaction of aminothiazole-oximetosylates with thiols, II

  摘要：

  The reaction of ethyl 2-(2-acetyl- or 2-formyl-amidothiazol-4-yl)-2-tosyloxyiminoacetate with thiols in the presence of triethylamine gave the corresponding sulfenylimines. When acetone was used as solvent the reaction led to 2,2-dimethyl-4-(2-acetyl- or 2-formyl-amido-thiazol-4-yl)-5-oxo-2,5-dihydro-1,3-oxazole. In 2-butanone or cyclohexanone similar oxazolinone derivatives were obtained. The structure of the products was elucidated by ir, H-1-and C-13-nmr spectroscopy, and a reaction mechanism is suggested for their formation.

  DOI：

  10.1016/s0040-4039(00)79032-0