2-formyl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile | 557091-65-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-formyl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
• CAS: 557091-65-3
• 化学式: C₁₀H₁₁N₃O₂
• 分子量: 205.216
• InChiKey: NDFMLTFBAXXPMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.35
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  70.13
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  3-苄基若丹宁 、 2-formyl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile 在 C.I.酸性橙108 、 溶剂黄146 作用下， 反应 1.0h， 生成 3-benzyl-4-[4-cyano-5-piperidinooxazol-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：

  3,3-dichloro-2-dichloroacetylaminoacrylonitrile 在 盐酸 、 溶剂黄146 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 反应 48.5h， 生成 2-formyl-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
  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