6-(3-chlorophenyl)-2-(4-fluoro-2-methylphenyl)pyridazin-3(2H)-one | 1434715-10-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 6-(3-chlorophenyl)-2-(4-fluoro-2-methylphenyl)pyridazin-3(2H)-one
• CAS: 1434715-10-2
• 化学式: C₁₇H₁₂ClFN₂O
• 分子量: 314.746
• InChiKey: GBCBAPGDSVWMLS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.0
• 重原子数：
  22.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  34.89
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  2-溴-5-氟甲苯 、 6-(2,3-dichlorophenyl)-4,5-dihydropyridazin-3(2H)-one 在 [N,N'-bis(5-sulfonatosalicylidene)-1,2-diaminoethane]copper disodium salt 、 sodium carbonate 作用下， 以 水 为溶剂， 反应 12.0h， 以77%的产率得到6-(3-chlorophenyl)-2-(4-fluoro-2-methylphenyl)pyridazin-3(2H)-one
  参考文献：
  名称：

  Relay Catalysis by a Multifunctional Cu Catalyst in a Tandem Dehydro-/Dehalogenation Sequence along with N-Arylation

  摘要：

  A Cu-catalyzed tandem dehydrogenation/dehalogenation sequential reaction along with N-arylation has been developed for the synthesis of pyridazinone derivatives in an aerobic and aqueous environment. To achieve the transformation of three chemical bonds in a one-pot reaction, a multifunctional copper catalyst was used which afforded excellent activity, high selectivity, and recyclability. The catalytic system consists of a water-soluble Cusalen complex and Na2CO3 in neat water and an air atmosphere.

  DOI：

  10.1021/ol401105x