2',4',6'-tri(p-methoxybenzoyloxy)acetophenone | 59115-98-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 2',4',6'-tri(p-methoxybenzoyloxy)acetophenone
• 英文别名: 2,4,6-trianysoylphloroacetophenone；[4-acetyl-3,5-bis[(4-methoxybenzoyl)oxy]phenyl] 4-methoxybenzoate
• CAS: 59115-98-9
• 化学式: C₃₂H₂₆O₁₀
• 分子量: 570.552
• InChiKey: FKWGSCBUFJPJLS-UHFFFAOYSA-N

物化性质

• 沸点：
  764.2±60.0 °C(Predicted)
• 密度：
  1.287±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.57
• 重原子数：
  42.0
• 可旋转键数：
  10.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  123.66
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  2',4',6'-tri(p-methoxybenzoyloxy)acetophenone 在 吡啶 、 氢氧化钾 、 乙醚 、 三氟化硼 、 sodium acetate 作用下， 以 二氯甲烷 、 溶剂黄146 为溶剂， 反应 29.0h， 生成 5-hydroxy-4'-methoxyflavone 7-O-β-D-galactopyranoside tetraacetate
  参考文献：
  名称：

  Acacetin 7-O-β-d-galactopyranoside from Chrysanthemum indicum

  摘要：

  DOI：

  10.1016/s0031-9422(00)98580-7
• 作为产物：
  描述：

  2,4,6-三羟基苯乙酮一水合物 、 对甲氧基苯甲酰氯 在 吡啶 作用下， 反应 2.0h， 生成 2',4',6'-tri(p-methoxybenzoyloxy)acetophenone
  参考文献：
  名称：

  3-Aroyl-5-hydroxyflavones: synthesis and mechanistic studies by mass spectrometry

  摘要：

  The synthesis and mass spectra of three 3-aroyl-5-hydroxyflavones are reported. The interpretation of the mechanistic pathways for the fragmentation of the metastable molecular ions of these compounds was achieved through the analysis of their mass-analysed ion kinetic energy (MIKE) spectra and of the B-2/E spectra of a few fragment ions. Labelling of the hydroxyl proton with deuterium and the analysis of the MIKE spectra of a model compound with chlorine atoms in the 2',6'- and 2 '',6 ''-positions led to a mechanism for the losses of OH. and HCO. which involves hydrogen migration from the 2 ''- or 6 ''-position to the 4-carbonyl oxygen atom. A mechanism for the loss of a neutral molecule of anisole from the molecular ion of the 3-aroyl-5-hydroxyflavone with a methoxyl group in the 4'- and 4 ''-positions is also suggested. For the flavones with hydrogen or chlorine substituents at these positions, loss of a phenyl (or chlorophenyl) radical occurs instead. (C) 1997 by John Wiley & Sons, Ltd.

  DOI：

  10.1002/(sici)1096-9888(199709)32:9<930::aid-jms549>3.0.co;2-e

文献信息

• GAYDOU E. M.; BIANCHINI J.-P., BULL. SOC. CHIM. FRANCE, 1978, PART 2, NO 1-2, 43-47
  作者：GAYDOU E. M.、 BIANCHINI J.-P.

  DOI：——

  日期：——