6-(3-chloro-4-fluorophenyl)pyridazine-3(2H)-one | 62902-73-2

• 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-chloro-4-fluorophenyl)pyridazine-3(2H)-one
• 英文别名: 6-(3-chloro-4-fluorophenyl)pyridazin-3(2H)one；6-(3-chloro-4-fluoro-phenyl)-2H-pyridazin-3-one；6-(3-chloro-4-fluorophenyl)-3(2H)pyridazinone；6-(3-Chloro-4-fluorophenyl)pyridazin-3-ol；3-(3-chloro-4-fluorophenyl)-1H-pyridazin-6-one
• CAS: 62902-73-2
• 化学式: C₁₀H₆ClFN₂O
• 分子量: 224.622
• InChiKey: KRLDXKPZBLMJRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-(3-chloro-4-fluorophenyl)pyridazine-3(2H)-one 在 盐酸 、 bis-triphenylphosphine-palladium(II) chloride 、 caesium carbonate 作用下， 以 1,4-二氧六环 、 乙二醇二甲醚 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 6-(3-chloro-4-fluorophenyl)-2-[[(2S)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]morpholin-2-yl]methyl]pyridazin-3-one
  参考文献：
  名称：

  Discovery of substituted 6-pheny-3H-pyridazin-3-one derivatives as novel c-Met kinase inhibitors

  摘要：

  We report a series of phenyl substituted pyridazin-3-ones substituted with morpholino-pyrimidines. The SAR of the phenyl was explored and their c-Met kinase and cell-based inhibitory activity toward c-Met driven cell lines were evaluated. Described herein is a potent c-Met inhibitor by structural modification of the parent morpholino-pyridazinone scaffold, with particular focus on the phenyl and pyrimidine substituents. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.08.067
• 作为产物：
  描述：

  3-chloro-6-(3-chloro-4-fluorophenyl)pyridazine 在 溶剂黄146 作用下， 反应 4.0h， 以93%的产率得到6-(3-chloro-4-fluorophenyl)pyridazine-3(2H)-one
  参考文献：
  名称：

  Discovery of substituted 6-pheny-3H-pyridazin-3-one derivatives as novel c-Met kinase inhibitors

  摘要：

  We report a series of phenyl substituted pyridazin-3-ones substituted with morpholino-pyrimidines. The SAR of the phenyl was explored and their c-Met kinase and cell-based inhibitory activity toward c-Met driven cell lines were evaluated. Described herein is a potent c-Met inhibitor by structural modification of the parent morpholino-pyridazinone scaffold, with particular focus on the phenyl and pyrimidine substituents. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.08.067

文献信息

• US4052395A
  申请人：——

  公开号：US4052395A

  公开（公告）日：1977-10-04