4-[1-(3-chlorophenyl)-3-(pyren-1-yl)-1H-pyrazol-4-yl]-6-(2-bromophenyl)-1,2-dihydro-2-oxopyridine-3-carbonitrile

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 4-[1-(3-chlorophenyl)-3-(pyren-1-yl)-1H-pyrazol-4-yl]-6-(2-bromophenyl)-1,2-dihydro-2-oxopyridine-3-carbonitrile
• 英文别名: 4-[1-(3-Chlorophenyl)-3-(pyren-1-yl)-1h-pyrazol-4-yl]-6-(2-bromophenyl)-1,2-dihydro-2-oxopyridine-3-carbonitrile；6-(2-bromophenyl)-4-[1-(3-chlorophenyl)-3-pyren-1-ylpyrazol-4-yl]-2-oxo-1H-pyridine-3-carbonitrile
• 化学式: C₃₇H₂₀BrClN₄O
• 分子量: 651.949
• InChiKey: BBPOWUNKCVATJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  44
• 可旋转键数：
  4
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  70.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2'-溴苯乙酮 、 1-(3-chlorophenyl)-3-(pyren-1-yl)-1H-pyrazole-4-carbaldehyde 、 氰乙酸乙酯 在 ammonium acetate 作用下， 以 正丁醇 为溶剂， 以67%的产率得到4-[1-(3-chlorophenyl)-3-(pyren-1-yl)-1H-pyrazol-4-yl]-6-(2-bromophenyl)-1,2-dihydro-2-oxopyridine-3-carbonitrile
  参考文献：
  名称：

  Synthesis of Novel 4-[1-(3-Chlorophenyl)-3-(pyren-1-yl)-1H-pyrazol-4-yl]-6-(substituted phenyl)-1,2-dihydro-2-oxo(imino)pyridine-3-carbonitriles

  摘要：

  A novel compounds of 4,6-diaryl-2-oxo(imino)-1,2-dihydro-pyridine-3-carbonitriles has been synthesized by reaction of 1-(3-chlorophenyl)-3-(pyren-1-yl)-1H-pyrazole-4-carbaldehyde with different 1-(substituted phenyl)ethanones and ethyl cyanoacetate or malononitrile in presence of ammonium acetate. Structure of the newly synthesized compounds was elucidated from chemical and spectroscopic data.

  DOI：

  10.1134/s1070363217120349

文献信息

• Synthesis of Novel 4-[1-(3-Chlorophenyl)-3-(pyren-1-yl)-1H-pyrazol-4-yl]-6-(substituted phenyl)-1,2-dihydro-2-oxo(imino)pyridine-3-carbonitriles
  作者：N. M. Khalifa、M. A. Al-Omar、O. M. Ali

  DOI：10.1134/s1070363217120349

  日期：2017.12

  A novel compounds of 4,6-diaryl-2-oxo(imino)-1,2-dihydro-pyridine-3-carbonitriles has been synthesized by reaction of 1-(3-chlorophenyl)-3-(pyren-1-yl)-1H-pyrazole-4-carbaldehyde with different 1-(substituted phenyl)ethanones and ethyl cyanoacetate or malononitrile in presence of ammonium acetate. Structure of the newly synthesized compounds was elucidated from chemical and spectroscopic data.