5-(4-ethoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole | 1241958-36-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(4-ethoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole
• 英文别名: 3-(4-ethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
• CAS: 1241958-36-0
• 化学式: C₁₂H₁₁F₃N₂O
• 分子量: 256.227
• InChiKey: PBHPUAXIQJJELH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  37.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-(4-乙氧基苯基)-4,4,4-三氟-1,3-丁二酮 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以54%的产率得到5-(4-ethoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole
  参考文献：
  名称：

  Synthesis and anti-microbial activity of some new fluorinated 1H-pyrazoles

  摘要：

  Several new trifluoromethyl-1H-pyrazoles were prepared by reaction of hydrazine monohydrate with 1,3-diketones. Their structures were confirmed by elemental analysis, IR, H-1 NMR and EI-MS spectroscopy. The anti-microbial activities of the newly synthesized compounds were examined by disc diffusion method against Escherichia coli, Staphylococcus aureus, Pyricularia oryzae and Rhizoctnia solani. All the trifluoromethyl-1H-pyrazoles exhibited a certain degree of anti-bacterial and anti-fungal activities. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2010.01.005

文献信息

• Intramolecular Appel Reaction of Trifluoromethylated β-Keto Diazos Enabling Assembly of Trifluoromethylpyrazoles
  作者：Haibo Mei、Nana Wang、Ziyi Li、Jianlin Han

  DOI：10.1021/acs.orglett.2c00738

  日期：2022.3.25

  β-keto diazos and their applications in intramolecular Appel type reactions are reported. The key success of this reaction is a diazo species as an N-nucleophile in Appel reactions. This reaction is conducted under mild conditions and has a broad substrate scope, affording trifluoromethylpyrazoles in ≤94% yields. This protocol represents a new type of Appel reaction and also a new reaction mode of

  报道了一种生成三氟甲基化 β-酮重氮化合物的方法及其在分子内 Appel 型反应中的应用。该反应的关键成功之处在于重氮物质作为 Appel 反应中的 N-亲核试剂。该反应在温和条件下进行，底物范围广，三氟甲基吡唑的产率≤94%。该方案代表了一种新型的Appel反应，也是氟重氮烷烃的一种新反应模式。
• Synthesis and anti-microbial activity of some new fluorinated 1H-pyrazoles
  作者：Dun-Jia Wang、Ling Fan、Chun-Yang Zheng、Zheng-Dong Fang

  DOI：10.1016/j.jfluchem.2010.01.005

  日期：2010.5

  Several new trifluoromethyl-1H-pyrazoles were prepared by reaction of hydrazine monohydrate with 1,3-diketones. Their structures were confirmed by elemental analysis, IR, H-1 NMR and EI-MS spectroscopy. The anti-microbial activities of the newly synthesized compounds were examined by disc diffusion method against Escherichia coli, Staphylococcus aureus, Pyricularia oryzae and Rhizoctnia solani. All the trifluoromethyl-1H-pyrazoles exhibited a certain degree of anti-bacterial and anti-fungal activities. (C) 2010 Elsevier B.V. All rights reserved.