diethyl {4-[(2-hydroxy-5-methylphenyl)carbonyl]-1-phenyl-2H-pyrazol-3-yl}phosphonate

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: diethyl {4-[(2-hydroxy-5-methylphenyl)carbonyl]-1-phenyl-2H-pyrazol-3-yl}phosphonate
• 英文别名: [5-[Diethoxy(oxido)phosphaniumyl]-2-phenyl-1,5-dihydropyrazol-4-yl]-(2-hydroxy-5-methylphenyl)methanone；[5-[diethoxy(oxido)phosphaniumyl]-2-phenyl-1,5-dihydropyrazol-4-yl]-(2-hydroxy-5-methylphenyl)methanone
• 化学式: C₂₁H₂₅N₂O₅P
• 分子量: 416.414
• InChiKey: AFULDBRYKFVRJJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  94.1
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  6-甲基-4-氧-4H-1-苯并吡喃-3-甲醛 、 亚磷酸二乙酯 、 苯肼 反应 6.0h， 以72%的产率得到diethyl {4-[(2-hydroxy-5-methylphenyl)carbonyl]-1-phenyl-2H-pyrazol-3-yl}phosphonate
  参考文献：
  名称：

  SYNTHESIS AND BIOLOGICAL EVALUATIONS OF A SERIES OF NOVEL AZOLYL, AZINYL, PYRANYL, CHROMONYL AND AZEPINYL PHOSPHONATES

  摘要：

  A facile synthetic methodology of novel azolyl, azinyl and azepinyl phosphonates as cyclic alpha-aminophosphonates was described. Chromonyl alpha-aminophosphonates, gamma-pyranyl and gamma-pyridinyl phosphonates were also prepared. The methodology depends on reaction of 6-methyl-3-formylchromone, nitrogen and carbon nucleophiles in the presence of diethyl phosphite in one-pot three-components under solvent-free conditions. The products were evaluated for their antimicrobial activities and antioxidant properties.

  DOI：

  10.3987/com-13-12836