{2-chloro-4-[di(4-methylphenyl)amino]phenyl}(2-methylphenyl)methanone

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: {2-chloro-4-[di(4-methylphenyl)amino]phenyl}(2-methylphenyl)methanone
• 英文别名: [2-chloro-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-(2-methylphenyl)methanone
• 化学式: C₂₈H₂₄ClNO
• 分子量: 425.958
• InChiKey: BREBPCIMTIWWSF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  对苄基三氟甲磺酸 、 (4-氨基-2-氯苯基)(2-甲苯基)甲酮 在 palladium diacetate Celite 、 caesium carbonate 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 甲苯 、 叔丁醇 为溶剂， 反应 0.25h， 以52.2 mg的产率得到(2-{[3-chloro-4-(2-methylbenzoyl)phenyl]amino}-4-[(4-methylphenyl)amino]phenyl)(2-methylphenyl)methanone
  参考文献：
  名称：

  Rapid and Efficient Microwave-Assisted Synthesis of Aryl Aminobenzophenones Using Pd-Catalyzed Amination

  摘要：

  Substituted aryl aminobenzophenone p38 MAP kinase inhibitors were synthesized in good to excellent yields using palladium-catalyzed aryl amination under conditions of microwave irradiation. Various ligands have been screened, and the reaction conditions were optimized. These coupling reactions are suitable for various anilines and aryl bromides that bear a variety of functional groups. Some leaving groups (iodides, chlorides, triflates, and tosylates) other than bromides have also been investigated. By this method, a large number of aryl aminobenzophenone p38 MAP kinase inhibitors were prepared in short order.

  DOI：

  10.1021/jo049572i