5-(5-Hydroxy-1-pentyn-1-yl)-6-phenyl-3(2H)-pyridazinone | 677010-23-0

• 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: 5-(5-Hydroxy-1-pentyn-1-yl)-6-phenyl-3(2H)-pyridazinone
• 英文别名: 4-(5-hydroxypent-1-ynyl)-3-phenyl-1H-pyridazin-6-one
• CAS: 677010-23-0
• 化学式: C₁₅H₁₄N₂O₂
• 分子量: 254.288
• InChiKey: VITDQTVWHHEYJJ-UHFFFAOYSA-N

物化性质

• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  61.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-戊炔-1-醇 、 5-bromo-2-hydroxymethyl-6-phenyl-3(2H)-pyridazinone 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以82%的产率得到5-(5-Hydroxy-1-pentyn-1-yl)-6-phenyl-3(2H)-pyridazinone
  参考文献：
  名称：

  Pyridazines. Part 36: Synthesis and antiplatelet activity of 5-substituted-6-phenyl-3(2H)-pyridazinones

  摘要：

  A convenient and efficient palladium-catalysed retro-ene-assisted method has been developed to prepare a series of 5-substituted-6-phenyl-3(2H)-pyridazinones as potential antiplatelet drugs. The most active compounds were those that contain a 3-phenyl-3-oxo-propenyl fragment or a phenylthio group at position 5 of the heterocyclic ring. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.11.009

文献信息

• Pyridazines. Part 36: Synthesis and antiplatelet activity of 5-substituted-6-phenyl-3(2H)-pyridazinones
  作者：Alberto Coelho、Eddy Sotelo、Nuria Fraiz、Matilde Yáñez、Reyes Laguna、Ernesto Cano、Enrique Raviña

  DOI：10.1016/j.bmcl.2003.11.009

  日期：2004.1

  A convenient and efficient palladium-catalysed retro-ene-assisted method has been developed to prepare a series of 5-substituted-6-phenyl-3(2H)-pyridazinones as potential antiplatelet drugs. The most active compounds were those that contain a 3-phenyl-3-oxo-propenyl fragment or a phenylthio group at position 5 of the heterocyclic ring. (C) 2003 Elsevier Ltd. All rights reserved.