1-(5-(anthracen-9-yl)-3-p-tolyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone | 1337561-29-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 1-(5-(anthracen-9-yl)-3-p-tolyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
• 英文别名: 1-[3-Anthracen-9-yl-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
• CAS: 1337561-29-1
• 化学式: C₂₆H₂₂N₂O
• 分子量: 378.473
• InChiKey: QDITUHVPOAIEMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(5-(anthracen-9-yl)-3-p-tolyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone 、 苯甲醛 在 potassium hydroxide 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以73%的产率得到1-(5-(anthracen-9-yl)-3-p-tolyl-4,5-dihydro-1H-pyrazol-1-yl)-3-phenylprop-2-en-1-one
  参考文献：
  名称：

  Synthesis and biological activity of some new pyrazoline and pyrimidine derivatives

  摘要：

  New series of pyrazoline 3-aryl-4,5-dihydro-1H-pyrazole-1-carbaldehydes (4-6), (aryl-4,5-dihydro-1H-pyrazol-1-yl) ethanones (9-11) and 3-aryl-4,5-dihydro-1H-pyrazoles (24 and 25) were synthesized by reacting chalcones (1-3) with hydrazine hydrate in either formic acid, acetic acid or ethanol, respectively. Also, new 6-arylpyrimidin-2-amine derivatives (32-34) were synthesized from the same chalcones. The structures of the newly synthesized compounds were established on the basis of IR, H-1 NMR, C-13 NMR, mass spectral data and elemental analyses. The compounds were evaluated for their antibacterial and antifungal activities. Three heterocycles showed relevant activity against C. albicans and some compounds also showed activity against E. coli.

  DOI：

  10.1590/s0103-50532011000700014
• 作为产物：
  描述：

  9-蒽甲醛 在 一水合肼 、 potassium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 12.0h， 生成 1-(5-(anthracen-9-yl)-3-p-tolyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
  参考文献：
  名称：

  Synthesis and biological activity of some new pyrazoline and pyrimidine derivatives

  摘要：

  New series of pyrazoline 3-aryl-4,5-dihydro-1H-pyrazole-1-carbaldehydes (4-6), (aryl-4,5-dihydro-1H-pyrazol-1-yl) ethanones (9-11) and 3-aryl-4,5-dihydro-1H-pyrazoles (24 and 25) were synthesized by reacting chalcones (1-3) with hydrazine hydrate in either formic acid, acetic acid or ethanol, respectively. Also, new 6-arylpyrimidin-2-amine derivatives (32-34) were synthesized from the same chalcones. The structures of the newly synthesized compounds were established on the basis of IR, H-1 NMR, C-13 NMR, mass spectral data and elemental analyses. The compounds were evaluated for their antibacterial and antifungal activities. Three heterocycles showed relevant activity against C. albicans and some compounds also showed activity against E. coli.

  DOI：

  10.1590/s0103-50532011000700014