2',6'-bis(4-methoxybenzoyloxy)acetophenone | 58124-15-5

• 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',6'-bis(4-methoxybenzoyloxy)acetophenone
• 英文别名: 2,6-Bis-<4-methoxy-benzoyloxy>-acetophenon；2.6-Dianisoyloxy-acetophenon；2-acetyl-1,3-bis-(4-methoxy-benzoyloxy)-benzene；2-Acetyl-1,3-bis-(4-methoxy-benzoyloxy)-benzol；1-[2.6-Bis-(4-methoxy-benzoyloxy)-phenyl]-aethanon-(1)；[2-Acetyl-3-(4-methoxybenzoyl)oxyphenyl] 4-methoxybenzoate
• CAS: 58124-15-5
• 化学式: C₂₄H₂₀O₇
• 分子量: 420.419
• InChiKey: MIDVMFJWRNXXDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  88.1
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2',6'-bis(4-methoxybenzoyloxy)acetophenone 在 potassium carbonate 、 potassium iodide 作用下， 以 吡啶 、 丙酮 为溶剂， 反应 14.0h， 生成 5-benzyloxy-4'-methoxy-3-(4-methoxybenzoyl)flavone
  参考文献：
  名称：

  3-Aroyl-5-hydroxyflavones: Synthesis and Transformation into Aroylpyrazoles

  摘要：

  DOI：

  10.1002/1099-0690(200211)2002:22<3807::aid-ejoc3807>3.0.co;2-2
• 作为产物：
  描述：

  2,6-二羟基苯乙酮 、 对甲氧基苯甲酰氯 在 吡啶 作用下， 生成 2',6'-bis(4-methoxybenzoyloxy)acetophenone
  参考文献：
  名称：

  Baker et al., Journal of the Chemical Society, 1949, p. 1560

  摘要：

  DOI：

文献信息

• 431. The structure of ginkgetin. Part I. Synthesis of 5 : 8-dihydroxy-4′-methoxyflavone
  作者：Wilson Baker、G. F. Flemons

  DOI：10.1039/jr9480002138

  日期：——
• Baker et al., Journal of the Chemical Society, 1949, p. 1560
  作者：Baker et al.

  DOI：——

  日期：——
• 3-Aroyl-5-hydroxyflavones: synthesis and mechanistic studies by mass spectrometry
  作者：Ana M. Cardoso、Artur M. S. Silva、Cristina M. F. Barros、Lúcia M. P. M. Almeida、A. J. Ferrer-Correia、José A. S. Cavaleiro

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

  日期：1997.9

  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.
• 3-Aroyl-5-hydroxyflavones: Synthesis and Transformation into Aroylpyrazoles
  作者：Diana C. G. A. Pinto、Artur M. S. Silva、Lúcia M. P. M. Almeida、José A. S. Cavaleiro、José Elguero

  DOI：10.1002/1099-0690(200211)2002:22<3807::aid-ejoc3807>3.0.co;2-2

  日期：2002.11