2-dimorpholinomethyl-5-morpholino-4-cyanooxazole | 557091-46-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-dimorpholinomethyl-5-morpholino-4-cyanooxazole
• 英文别名: 2-(dimorpholin-4-ylmethyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
• CAS: 557091-46-0
• 化学式: C₁₇H₂₅N₅O₄
• 分子量: 363.417
• InChiKey: DPVAIMSUEXTERH-UHFFFAOYSA-N

物化性质

• 沸点：
  535.0±50.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.05
• 重原子数：
  26.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  87.23
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  2-dimorpholinomethyl-5-morpholino-4-cyanooxazole 在 盐酸 、 水 、 C.I.酸性橙108 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 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：

  吗啉 、 3,3-dichloro-2-dichloroacetylaminoacrylonitrile 以 四氢呋喃 为溶剂， 反应 48.0h， 以86%的产率得到2-dimorpholinomethyl-5-morpholino-4-cyanooxazole
  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