2-Methyl-5-(3-oxo-3-phenylprop-1-enyl)pyridazin-3-one | 825634-12-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-Methyl-5-(3-oxo-3-phenylprop-1-enyl)pyridazin-3-one
• 英文别名: 2-methyl-5-(3-oxo-3-phenylprop-1-enyl)pyridazin-3-one
• CAS: 825634-12-6
• 化学式: C₁₄H₁₂N₂O₂
• 分子量: 240.261
• InChiKey: SZEQJADSNWIXLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  49.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-甲基-6-氧代-1,6-二氢哒嗪-4-甲醛 、 苯乙酮 在 silica-supported aluminum chloride 作用下， 以 乙醇 为溶剂， 以57%的产率得到2-Methyl-5-(3-oxo-3-phenylprop-1-enyl)pyridazin-3-one
  参考文献：
  名称：

  Silica-Supported Aluminum Chloride-Assisted Solution Phase Synthesis of Pyridazinone-Based Antiplatelet Agents

  摘要：

  A solution phase protocol that enabled the synthesis of three diverse libraries of pyridazin-3-ones incorporating alpha,beta-unsaturated moieties at position S of the heterocyclic core has been developed using silica-supported aluminum trichloride as a heterogeneous and reusable catalyst. This robust procedure has facilitated the hit to lead process for these series of compounds and allowed the identification of new potent derivatives that elicit antiplatelet activity in the low micromolar range.

  DOI：

  10.1021/co100017h

文献信息

• Silica-Supported Aluminum Chloride-Assisted Solution Phase Synthesis of Pyridazinone-Based Antiplatelet Agents
  作者：Abdelaziz El Maatougui、Jhonny Azuaje、Eddy Sotelo、Olga Caamaño、Alberto Coelho

  DOI：10.1021/co100017h

  日期：2011.1.10

  A solution phase protocol that enabled the synthesis of three diverse libraries of pyridazin-3-ones incorporating alpha,beta-unsaturated moieties at position S of the heterocyclic core has been developed using silica-supported aluminum trichloride as a heterogeneous and reusable catalyst. This robust procedure has facilitated the hit to lead process for these series of compounds and allowed the identification of new potent derivatives that elicit antiplatelet activity in the low micromolar range.