5-(3-fluorophenoxy)-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde | 926205-25-6

• 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-(3-fluorophenoxy)-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde
• 英文别名: 5-(3-fluorophenoxy)-3-methyl-1-phenylpyrazole-4-carbaldehyde
• CAS: 926205-25-6
• 化学式: C₁₇H₁₃FN₂O₂
• mdl: MFCD06660580
• 分子量: 296.301
• InChiKey: PGCLRPPPHZSBNM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.058
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-(3-fluorophenoxy)-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde 在 溶剂黄146 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 2-(4-bromophenyl)-5'-(3-fluorophenoxy)-5-(4-fluorophenyl)-3'-methyl-1′-phenyl-3,4-dihydro-1'H,2H-3,4′-bipyrazole
  参考文献：
  名称：

  Design, synthesis and characterization of fluoro substituted novel pyrazolylpyrazolines scaffold and their pharmacological screening

  摘要：

  A novel series of fluoro substituted pyrazolylpyrazolines 7a-l was synthesized in good to excellent yield (77-88%) from pyrazole chalcones 5a-d and substituted phenyl hydrazine hydrochlorides 6a-c under microwave irradiation. The newly synthesized compounds were screened for their preliminary in vitro antibacterial activity against a panel of pathogenic stains of bacteria and fungi, antituberculosis activity against Mycobacterium tuberculosis H37Rv and antimalarial activity against Plasmodium falciparum. Compounds 7a, 7b, 7g, 7h, 7j and 7k displayed excellent activity against P. falciparum stain as compared to quinine IC50 0.268. Good antitubercular activity was exhibited by compounds 7a, 7e, 7h and 7k. Some of them also exhibited superior antibacterial activity as compared to the first line drugs.

  DOI：

  10.1016/j.ejmech.2014.07.008
• 作为产物：
  描述：

  5-氯-3-甲基-1-苯基吡唑-4-甲醛 、 3-氟苯酚 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以78%的产率得到5-(3-fluorophenoxy)-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde
  参考文献：
  名称：

  Green synthesis and pharmacological screening of polyhydroquinoline derivatives bearing a fluorinated 5-aryloxypyrazole nucleus

  摘要：

  绿色合成，生物评价和带有氟化5-芳氧吡唑核的多羟基喹啉骨架的结构活性关系研究。

  DOI：

  10.1039/c5ra00388a