4-cyano-5-morpholinooxazole-2-carbaldehyde | 557091-49-3

• 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-cyano-5-morpholinooxazole-2-carbaldehyde
• 英文别名: 2-formyl-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
• CAS: 557091-49-3
• 化学式: C₉H₉N₃O₃
• 分子量: 207.189
• InChiKey: GDWMNIFREOSMQA-UHFFFAOYSA-N

物化性质

• 沸点：
  448.4±55.0 °C(Predicted)
• 密度：
  1.39±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  79.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-甲基罗丹宁 、 4-cyano-5-morpholinooxazole-2-carbaldehyde 在 C.I.酸性橙108 、 溶剂黄146 作用下， 反应 1.0h， 生成 4-cyano-3-methyl-4-[5-morpholinooxazol-2-ylmethylene]rhodanine
  参考文献：
  名称：

  摘要：

  Polychlorinated enamidonitrile Cl2C=C(CN)NHCOCHCl2, readily reacts with primary aromatic amines, dialkylamines, piperidine, and morpholine. The reaction is accompanied by complete elimination of chlorine atoms as chloride ions with formation of 4-cyanooxazoles having the corresponding amine residue in position 5 of the ring and a CH=N or diaminomethyl moiety in position 2. The structure of 5-arylamino(dialkylamino)-4-cyano-2-formyloxazoles was confirmed by their acid hydrolysis, as well as by the condensation with phenylhydrazine, N-alkylrhodanines, and ethyl acetoacetate in the presence of urea.

  DOI：

  10.1023/a:1023385028068
• 作为产物：
  描述：

  2-dimorpholinomethyl-5-morpholino-4-cyanooxazole 在 盐酸 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 4-cyano-5-morpholinooxazole-2-carbaldehyde
  参考文献：
  名称：

  摘要：

  Polychlorinated enamidonitrile Cl2C=C(CN)NHCOCHCl2, readily reacts with primary aromatic amines, dialkylamines, piperidine, and morpholine. The reaction is accompanied by complete elimination of chlorine atoms as chloride ions with formation of 4-cyanooxazoles having the corresponding amine residue in position 5 of the ring and a CH=N or diaminomethyl moiety in position 2. The structure of 5-arylamino(dialkylamino)-4-cyano-2-formyloxazoles was confirmed by their acid hydrolysis, as well as by the condensation with phenylhydrazine, N-alkylrhodanines, and ethyl acetoacetate in the presence of urea.

  DOI：

  10.1023/a:1023385028068