3-benzoyl-2-oxo-6-phenyl-2H-pyran-4-yl acetate | 1173241-95-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-benzoyl-2-oxo-6-phenyl-2H-pyran-4-yl acetate
• 英文别名: (3-benzoyl-2-oxo-6-phenylpyran-4-yl) acetate
• CAS: 1173241-95-6
• 化学式: C₂₀H₁₄O₅
• 分子量: 334.328
• InChiKey: BURNTBNZKVNOLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-benzoyl-4-hydroxy-6-phenyl-2H-pyran-2-one 、 乙酸酐 在 硫酸 作用下， 反应 0.5h， 以60%的产率得到3-benzoyl-2-oxo-6-phenyl-2H-pyran-4-yl acetate
  参考文献：
  名称：

  Synthesis and spectral studies of pyranone derivative and its Cu(II), Co(II), Ni(II) and Zn(II) complexes

  摘要：

  Under the thermolysis condition, 5-phenyl-2,3-dihydro-2,3-furandione (IV) in inert aprotic solvents as p-xylene at 130-140 degrees C yields 3-benzoyl-4-hydroxy-6-plienyl-2H-pyran-2-one (VI) via phenyl ketene (V). The compound (VI) was converted into the corresponding 3-benzoyl-4-hydroxy-6-plienylpyridin-2(1H)one (VII), and 3-benzoyl-2-oxo-6-phenyl-2H-pyran-4-yl acetate (VIII), by its reactions with ammonium hydroxydc, and acetic anhydride, respectively. On the other hand, a series of new various metal complexes (IX-XIa, XIb) of VI was synthesizec.. The results suggest that the compound VI as bidentate ligand indicate a binuclear structure for the Cu(II) complex with square-planar geometry. The Ni(II) and Zn(II) complexes are of tetrahedral and the Co(II) complex. is also octahedral geometry with water molecules at the axial positions. The structures of compounds and complexes were characterized on the basis of elemental analysis, Mass, IR, H-1, and C-13 NMR spectra.

  DOI：

  10.1134/s1070363208060315