4,5-Dihydro-6-(4-ethoxyphenyl)-4-<1,3-diphenyl-5(4H)-oxo-pyrazolin-4-yl>-3(2H)pyridazinone | 173780-27-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4,5-Dihydro-6-(4-ethoxyphenyl)-4-<1,3-diphenyl-5(4H)-oxo-pyrazolin-4-yl>-3(2H)pyridazinone
• 英文别名: 3-(4-ethoxyphenyl)-5-(5-oxo-1,3-diphenyl-4H-pyrazol-4-yl)-4,5-dihydro-1H-pyridazin-6-one
• CAS: 173780-27-3
• 化学式: C₂₇H₂₄N₄O₃
• 分子量: 452.513
• InChiKey: PANLBEBALMTLRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  83.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4,5-Dihydro-6-(4-ethoxyphenyl)-4-<1,3-diphenyl-5(4H)-oxo-pyrazolin-4-yl>-3(2H)pyridazinone 在 三氯氧磷 作用下， 反应 0.5h， 以44%的产率得到3-Chloro-4,5-dihydro-6-(4-ethoxyphenyl)-4-(5-chloro-1,3-diphenyl-pyrazolin-4-yl)pyridazine
  参考文献：
  名称：

  Synthesis and biological activity of some new pyridazine derivatives

  摘要：

  Condensation of beta-aroyl-alpha-[1,3-diphenyl-5(4H)-oxo-pyrazol-4-yl] propionic acid with hydrazine hydrate affords 4,5-dihydro-3(2H)-pyridazinone (2). Reaction of 2 with POCl3 and P2S5 gives a dichloro derivative (7) and a dithione (4). The behavior of the dichloro and dithione derivatives toward various reagents was studied. The in vitro antibacterial screening reveals moderate activities against certain bacteria.

  DOI：

  10.1007/bf00824306
• 作为产物：
  描述：

  3-(4-乙氧基苯甲酰)丙烯酸 在 一水合肼 作用下， 以 乙醇 、 苯 为溶剂， 反应 15.0h， 生成 4,5-Dihydro-6-(4-ethoxyphenyl)-4-<1,3-diphenyl-5(4H)-oxo-pyrazolin-4-yl>-3(2H)pyridazinone
  参考文献：
  名称：

  Synthesis and biological activity of some new pyridazine derivatives

  摘要：

  Condensation of beta-aroyl-alpha-[1,3-diphenyl-5(4H)-oxo-pyrazol-4-yl] propionic acid with hydrazine hydrate affords 4,5-dihydro-3(2H)-pyridazinone (2). Reaction of 2 with POCl3 and P2S5 gives a dichloro derivative (7) and a dithione (4). The behavior of the dichloro and dithione derivatives toward various reagents was studied. The in vitro antibacterial screening reveals moderate activities against certain bacteria.

  DOI：

  10.1007/bf00824306

文献信息

• Synthesis and biological activity of some new pyridazine derivatives
  作者：E. AbdEl-Ghani、M. G. Assy、H. Y. Moustafa

  DOI：10.1007/bf00824306

  日期：1995.11

  Condensation of beta-aroyl-alpha-[1,3-diphenyl-5(4H)-oxo-pyrazol-4-yl] propionic acid with hydrazine hydrate affords 4,5-dihydro-3(2H)-pyridazinone (2). Reaction of 2 with POCl3 and P2S5 gives a dichloro derivative (7) and a dithione (4). The behavior of the dichloro and dithione derivatives toward various reagents was studied. The in vitro antibacterial screening reveals moderate activities against certain bacteria.