5-(4-Bromophenyl)imino-3,3-dimethylcyclohexan-1-one

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 5-(4-Bromophenyl)imino-3,3-dimethylcyclohexan-1-one
• 英文别名: 5-(4-bromophenyl)imino-3,3-dimethylcyclohexan-1-one
• 化学式: C₁₄H₁₆BrNO
• 分子量: 294.191
• InChiKey: JBMLFYKPKBIUHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  17
• 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：
  29.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  水合茚三酮 、 5-(4-Bromophenyl)imino-3,3-dimethylcyclohexan-1-one 、 丙二腈 在 Fe₃O₄(at)SiO₂(at)Pr-Oxime-(BuSO₃H)3 作用下， 以 neat (no solvent) 为溶剂， 生成 (1S,9R)-18-amino-8-(4-bromophenyl)-5,5-dimethyl-3,16-dioxo-19-oxa-8-azapentacyclo[7.7.3.01,9.02,7.010,15]nonadeca-2(7),10,12,14,17-pentaene-17-carbonitrile
  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-溴苯胺 在 Fe₃O₄(at)SiO₂(at)Pr-Oxime-(BuSO₃H)3 作用下， 以 neat (no solvent) 为溶剂， 生成 5-(4-Bromophenyl)imino-3,3-dimethylcyclohexan-1-one
  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