β-(4-Ethoxybenzoyl)-α-(1,3-diphenyl-5(4H)-oxo-pyrazolin-4-yl)propionic acid | 173780-26-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: β-(4-Ethoxybenzoyl)-α-(1,3-diphenyl-5(4H)-oxo-pyrazolin-4-yl)propionic acid
• 英文别名: 4-(4-ethoxyphenyl)-4-oxo-2-(5-oxo-1,3-diphenyl-4H-pyrazol-4-yl)butanoic acid
• CAS: 173780-26-2
• 化学式: C₂₇H₂₄N₂O₅
• 分子量: 456.498
• InChiKey: SRUICXXITHIOFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.43
• 重原子数：
  34.0
• 可旋转键数：
  9.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  96.27
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  β-(4-Ethoxybenzoyl)-α-(1,3-diphenyl-5(4H)-oxo-pyrazolin-4-yl)propionic acid 在 一水合肼 、 三氯氧磷 作用下， 以 乙醇 为溶剂， 反应 5.5h， 生成 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 、 2,4-二氢-2,5-二苯基-3H-吡唑啉-3-酮 以 苯 为溶剂， 反应 10.0h， 以50%的产率得到β-(4-Ethoxybenzoyl)-α-(1,3-diphenyl-5(4H)-oxo-pyrazolin-4-yl)propionic acid
  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