| 1314211-53-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1314211-53-4
• 化学式: C₁₈H₁₄F₂N*Cl
• 分子量: 317.766
• InChiKey: YVIPPBHTBURJCV-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.89
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  3.88
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  在 tris(2,2'-bipyridine)ruthenium dichloride 、 caesium carbonate 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 48.0h， 以17 mg的产率得到4,4'-二氟二苯甲酮
  参考文献：
  名称：

  Utilization of Natural Sunlight and Air in the Aerobic Oxidation of Benzyl Halides

  摘要：

  A novel, efficient oxidation of alpha-aryl halogen derivatives to the corresponding alpha-aryl carbonyl compounds at room temperature has been disclosed. Natural sunlight and air are successfully utilized in this approach through the combination of photocatalysis and organocatalysis. A plausible mechanism was proposed on the basis of the mechanistic studies.

  DOI：

  10.1021/ol2002013
• 作为产物：
  描述：

  吡啶 、 氯代双(4-氟苯基甲烷) 反应 0.33h， 生成
  参考文献：
  名称：

  Utilization of Natural Sunlight and Air in the Aerobic Oxidation of Benzyl Halides

  摘要：

  A novel, efficient oxidation of alpha-aryl halogen derivatives to the corresponding alpha-aryl carbonyl compounds at room temperature has been disclosed. Natural sunlight and air are successfully utilized in this approach through the combination of photocatalysis and organocatalysis. A plausible mechanism was proposed on the basis of the mechanistic studies.

  DOI：

  10.1021/ol2002013