3,3-dichloro-2-dichloroacetylaminoacrylonitrile | 201988-91-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3,3-dichloro-2-dichloroacetylaminoacrylonitrile
• 英文别名: Acetamide, 2,2-dichloro-N-(2,2-dichloro-1-cyanoethenyl)-；2,2-dichloro-N-(2,2-dichloro-1-cyanoethenyl)acetamide
• CAS: 201988-91-2
• 化学式: C₅H₂Cl₄N₂O
• 分子量: 247.896
• InChiKey: GRAVWIPLRJUIDG-UHFFFAOYSA-N

物化性质

• 沸点：
  334.7±42.0 °C(Predicted)
• 密度：
  1.657±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  52.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,3-dichloro-2-dichloroacetylaminoacrylonitrile 在 C.I.酸性橙108 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 反应 49.0h， 生成 4-cyano-3-methyl-4-[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：

  氢氰酸 、 N-(1,2,2,2-四氯乙基)二氯乙酰胺 在 三乙胺 作用下， 以 乙醚 为溶剂， 反应 3.0h， 以52%的产率得到3,3-dichloro-2-dichloroacetylaminoacrylonitrile
  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

文献信息

• ——
  作者：S. G. Pil'o

  DOI：10.1023/a:1023385028068

  日期：——

  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.