1-(4-fluorophenyl)-3-(4-pyridyl)-1,3-propandione

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-fluorophenyl)-3-(4-pyridyl)-1,3-propandione
• 英文别名: 1-(4-Fluorophenyl)-3-pyridin-4-ylpropane-1,3-dione
• 化学式: C₁₄H₁₀FNO₂
• mdl: MFCD11539384
• 分子量: 243.237
• InChiKey: SRIZJSZNUHUEKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.071
• 拓扑面积：
  47
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(4-fluorophenyl)-3-(4-pyridyl)-1,3-propandione 在 一水合肼 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 8.0h， 生成 1-benzoyl-3-(4-pyridyl)-5-(4-fluorophenyl)pyrazole
  参考文献：
  名称：

  SYNTHESIS AND ANTI-MICROBIAL ACTIVITIES OF 1,3,5-TRISUBSTITUTED-PYRAZOLE DERIVATIVES CONTAINING A PYRIDYL MOIETY

  摘要：

  Claisen condensation of ethyl isonicotinate with different acetophenones gave the corresponding pyridyl-beta-diketones, while the treatment with hydrazine hydrate yielded 3,5-disubstituted-1H-pyrazoles, which then converted 1,3,5-trisubstituted-pyrazole derivatives containing a pyridyl moiety by N-acylation with acyl chloride. The structures of all newly synthesized compounds are established by FTIR, H-1 NMR, mass spectroscopy and elemental analysis, and in the case of compound 2e, analyzed by single-crystal X-ray diffraction further. The anti-microbial activities of the title compounds have been tested by disc diffusion method against Escherichia coli, Staphylococcus aureus, Pyricularia oryzae and Rhizoctnia solani. The results showed that compounds 3c and 4c exhibited good inhibitory activity against all the tested organisms.

  DOI：

  10.4067/s0717-97072015000100018
• 作为产物：
  描述：

  异烟酸乙酯 、 4-氟苯乙酮 在 sodium amide 作用下， 以 苯 为溶剂， 反应 7.0h， 以72.6%的产率得到1-(4-fluorophenyl)-3-(4-pyridyl)-1,3-propandione
  参考文献：
  名称：

  SYNTHESIS AND ANTI-MICROBIAL ACTIVITIES OF 1,3,5-TRISUBSTITUTED-PYRAZOLE DERIVATIVES CONTAINING A PYRIDYL MOIETY

  摘要：

  Claisen condensation of ethyl isonicotinate with different acetophenones gave the corresponding pyridyl-beta-diketones, while the treatment with hydrazine hydrate yielded 3,5-disubstituted-1H-pyrazoles, which then converted 1,3,5-trisubstituted-pyrazole derivatives containing a pyridyl moiety by N-acylation with acyl chloride. The structures of all newly synthesized compounds are established by FTIR, H-1 NMR, mass spectroscopy and elemental analysis, and in the case of compound 2e, analyzed by single-crystal X-ray diffraction further. The anti-microbial activities of the title compounds have been tested by disc diffusion method against Escherichia coli, Staphylococcus aureus, Pyricularia oryzae and Rhizoctnia solani. The results showed that compounds 3c and 4c exhibited good inhibitory activity against all the tested organisms.

  DOI：

  10.4067/s0717-97072015000100018

文献信息

• SYNTHESIS AND ANTI-MICROBIAL ACTIVITIES OF 1,3,5-TRISUBSTITUTED-PYRAZOLE DERIVATIVES CONTAINING A PYRIDYL MOIETY
  作者：DUN-JIA WANG、HUA LIU、YAN-FANG KANG、YAN-JUN HU、XIAN-HONG WEI

  DOI：10.4067/s0717-97072015000100018

  日期：——

  Claisen condensation of ethyl isonicotinate with different acetophenones gave the corresponding pyridyl-beta-diketones, while the treatment with hydrazine hydrate yielded 3,5-disubstituted-1H-pyrazoles, which then converted 1,3,5-trisubstituted-pyrazole derivatives containing a pyridyl moiety by N-acylation with acyl chloride. The structures of all newly synthesized compounds are established by FTIR, H-1 NMR, mass spectroscopy and elemental analysis, and in the case of compound 2e, analyzed by single-crystal X-ray diffraction further. The anti-microbial activities of the title compounds have been tested by disc diffusion method against Escherichia coli, Staphylococcus aureus, Pyricularia oryzae and Rhizoctnia solani. The results showed that compounds 3c and 4c exhibited good inhibitory activity against all the tested organisms.