1-acetyl-3-(4-methoxybenzyl)-5-phenyl-4,5-dihydro-1H-pyrazole | 1180009-45-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-acetyl-3-(4-methoxybenzyl)-5-phenyl-4,5-dihydro-1H-pyrazole
• 英文别名: 1-[5-[(4-Methoxyphenyl)methyl]-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
• CAS: 1180009-45-3
• 化学式: C₁₉H₂₀N₂O₂
• 分子量: 308.38
• InChiKey: JLAFDNJTMJXIOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  41.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-methoxylbenzylzinc(II) bromide 、 1-acetyl-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl trifluoromethanesulfonate 在 四(三苯基膦)钯 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以60%的产率得到1-acetyl-3-(4-methoxybenzyl)-5-phenyl-4,5-dihydro-1H-pyrazole
  参考文献：
  名称：

  A Divergent Approach to the Synthesis of 3-Substituted-2-pyrazolines: Suzuki Cross-Coupling of 3-Sulfonyloxy-2-pyrazolines

  摘要：

  The efficient Suzuki cross-coupling of pyrazoline nonaflates with organoboron reagents was achieved to afford diverse 3-substituted-2-pyrazolines in excellent yield. The nonaflates displayed improved reactivity over the corresponding triflates and smoothly coupled to a variety of aryl- and heteroarylboronic acids. This process and its broad scope constitute a rapid, divergent strategy for the synthesis of elaborated 2-pyrazolines that are not readily obtained via conventional methods.

  DOI：

  10.1021/jo9011859

文献信息

• A Divergent Approach to the Synthesis of 3-Substituted-2-pyrazolines: Suzuki Cross-Coupling of 3-Sulfonyloxy-2-pyrazolines
  作者：Jonathan B. Grimm、Kevin J. Wilson、David J. Witter

  DOI：10.1021/jo9011859

  日期：2009.8.21

  The efficient Suzuki cross-coupling of pyrazoline nonaflates with organoboron reagents was achieved to afford diverse 3-substituted-2-pyrazolines in excellent yield. The nonaflates displayed improved reactivity over the corresponding triflates and smoothly coupled to a variety of aryl- and heteroarylboronic acids. This process and its broad scope constitute a rapid, divergent strategy for the synthesis of elaborated 2-pyrazolines that are not readily obtained via conventional methods.