3-methyl-1-(4-(methylsulfonyl)phenyl)-4,5-dihydropyrazole | 1033725-90-4

• 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: 3-methyl-1-(4-(methylsulfonyl)phenyl)-4,5-dihydropyrazole
• 英文别名: 5-Methyl-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole
• CAS: 1033725-90-4
• 化学式: C₁₁H₁₄N₂O₂S
• 分子量: 238.31
• InChiKey: WXSLHUDLBOHZIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  58.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-丁炔-1-醇 、 4-甲磺酰基苯肼盐酸盐 在 zinc trifluoromethanesulfonate 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以87%的产率得到3-methyl-1-(4-(methylsulfonyl)phenyl)-4,5-dihydropyrazole
  参考文献：
  名称：

  Zinc-Catalyzed Synthesis of Pyrazolines and Pyrazoles via Hydrohydrazination

  摘要：

  A novel regioselective synthesis of aryl-substituted pyrazolines and pyrazoles has been developed. Substituted phenylhydrazines react with 3-butynol in the presence of a catalytic amount of zinc triflate to give pyrazoline derivatives. The resulting products are easily oxidized in a one-pot procedure to the corresponding pyrazoles.

  DOI：

  10.1021/ol800592s

文献信息

• Zinc-Catalyzed Synthesis of Pyrazolines and Pyrazoles via Hydrohydrazination
  作者：Karolin Alex、Annegret Tillack、Nicolle Schwarz、Matthias Beller

  DOI：10.1021/ol800592s

  日期：2008.6.1

  A novel regioselective synthesis of aryl-substituted pyrazolines and pyrazoles has been developed. Substituted phenylhydrazines react with 3-butynol in the presence of a catalytic amount of zinc triflate to give pyrazoline derivatives. The resulting products are easily oxidized in a one-pot procedure to the corresponding pyrazoles.