1-acetyl-1'-benzyl-5-phenyl-4,5-dihydro-1H,1'H-3,4'-bipyrazole | 1180009-57-7

• 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: 1-acetyl-1'-benzyl-5-phenyl-4,5-dihydro-1H,1'H-3,4'-bipyrazole
• 英文别名: 1-[5-(1-Benzylpyrazol-4-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
• CAS: 1180009-57-7
• 化学式: C₂₁H₂₀N₄O
• 分子量: 344.416
• InChiKey: LSJJYPSDVBGQPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  50.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-苄基-1H-吡唑-4-硼酸频哪醇酯 、 1-acetyl-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 sodium carbonate 作用下， 以 乙醇 、 水 、 甲苯 为溶剂， 反应 0.17h， 以86%的产率得到1-acetyl-1'-benzyl-5-phenyl-4,5-dihydro-1H,1'H-3,4'-bipyrazole
  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.