5-(4-(benzyloxy)phenyl)-3-(trifluoromethyl)-1H-pyrazole | 1241958-35-9

• 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-(benzyloxy)phenyl)-3-(trifluoromethyl)-1H-pyrazole
• 英文别名: 3-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
• CAS: 1241958-35-9
• 化学式: C₁₇H₁₃F₃N₂O
• 分子量: 318.298
• InChiKey: COVVEXXGWJAQSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 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-Benzyloxy-phenyl)-4,4,4-trifluoro-butane-1,3-dione 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以67%的产率得到5-(4-(benzyloxy)phenyl)-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