(5E)-3,3-dimethyl-5-(4-nitrophenyl)imino-cyclohexanone

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (5E)-3,3-dimethyl-5-(4-nitrophenyl)imino-cyclohexanone
• 英文别名: 3,3-dimethyl-5-(4-nitrophenyl)iminocyclohexan-1-one
• 化学式: C₁₄H₁₆N₂O₃
• 分子量: 260.293
• InChiKey: RIYFRZMLRBXDLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  75.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  水合茚三酮 、 (5E)-3,3-dimethyl-5-(4-nitrophenyl)imino-cyclohexanone 、 丙二腈 在 Fe₃O₄(at)SiO₂(at)Pr-Oxime-(BuSO₃H)3 作用下， 以 neat (no solvent) 为溶剂， 生成
  参考文献：
  名称：

  Fe3O4@SiO2@Pr-Oxime-(BuSO3H)3 synthesis and its application as magnetic nanocatalyst in the synthesis of heterocyclic [3.3.3]propellanes

  摘要：

  The modification of Fe3O4 nanomagnetic particles with inorganic and organic compounds was accomplished. The Fe3O4@SiO2@Pr-Oxime-(BuSO3H)3 as Brønsted acid was synthesized by functionalization of Fe3O4 in several steps and characterized by various techniques. Domino reaction of dimedone, anilines, ninhydrin, and malononitrile was investigated by a magnetic catalyst without using solvent at 80 °C. This method has many advantages including short reaction time, green conditions, ecofriendly, excellent yields of products, and easy separation by an external magnet.

  DOI：

  10.1007/s13738-022-02685-7
• 作为产物：
  描述：

  5,5-二甲基-1,3-环己二酮 、 4-硝基苯胺 在 Fe₃O₄(at)SiO₂(at)Pr-Oxime-(BuSO₃H)3 作用下， 以 neat (no solvent) 为溶剂， 生成 (5E)-3,3-dimethyl-5-(4-nitrophenyl)imino-cyclohexanone
  参考文献：
  名称：

  Fe3O4@SiO2@Pr-Oxime-(BuSO3H)3 synthesis and its application as magnetic nanocatalyst in the synthesis of heterocyclic [3.3.3]propellanes

  摘要：

  The modification of Fe3O4 nanomagnetic particles with inorganic and organic compounds was accomplished. The Fe3O4@SiO2@Pr-Oxime-(BuSO3H)3 as Brønsted acid was synthesized by functionalization of Fe3O4 in several steps and characterized by various techniques. Domino reaction of dimedone, anilines, ninhydrin, and malononitrile was investigated by a magnetic catalyst without using solvent at 80 °C. This method has many advantages including short reaction time, green conditions, ecofriendly, excellent yields of products, and easy separation by an external magnet.

  DOI：

  10.1007/s13738-022-02685-7