7-benzoyloxy-3-methyl-2-phenyl-chromen-4-one | 858258-32-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 7-benzoyloxy-3-methyl-2-phenyl-chromen-4-one
• 英文别名: 7-Benzoyloxy-3-methyl-2-phenyl-chromen-4-on
• CAS: 858258-32-9
• 化学式: C₂₃H₁₆O₄
• 分子量: 356.378
• InChiKey: GUKXQVHFWRTPSI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.99
• 重原子数：
  27.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  56.51
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  7-benzoyloxy-3-methyl-2-phenyl-chromen-4-one 在 吡啶 、 氢氧化钾 作用下， 生成 7-Acetyloxy-3-methylflavone
  参考文献：
  名称：

  732.通过重排邻乙酰氧基苯乙酮合成3-取代的色酮

  摘要：

  DOI：

  10.1039/jr9520003826
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 盐酸 、 溶剂黄146 作用下， 生成 7-benzoyloxy-3-methyl-2-phenyl-chromen-4-one
  参考文献：
  名称：

  732.通过重排邻乙酰氧基苯乙酮合成3-取代的色酮

  摘要：

  DOI：

  10.1039/jr9520003826

文献信息

• Synthesis, in vitro evaluation, and docking studies of novel chromone derivatives as HIV-1 protease inhibitor
  作者：Jiraporn Ungwitayatorn、Chanpen Wiwat、Weerasak Samee、Patcharawee Nunthanavanit、Narumol Phosrithong

  DOI：10.1016/j.molstruc.2011.06.035

  日期：2011.8

  Novel chromone derivatives with a benzopyran-4-one scaffold have been prepared by the one-pot cyclization reaction. The in vitro inhibitory activity of these new compounds towards HIV-1 protease have been evaluated using stop time HPLC method as the preliminary screening. The most potent compound, 7,8-dihydroxy-2-(3'-trifluoromethyl phenyl)-3-(3 ''-trifluoromethylbenzoyl)chromone (32), showed IC50 = 0.34 mu M. The molecular docking study supported results from experimental activity testing and also provided structure-activity relationship of this series. (C) 2011 Elsevier B.V. All rights reserved.
• Facile Synthesis of 9-Acetyl/Formyl/Cyano-Substituted Pyrano[2,3-<i>f</i>]flavones and Chromones Using the Baylis–Hillman Reaction
  作者：S. Satyanarayana Reddy、G. L. David Krupadanam

  DOI：10.1080/00397910903069681

  日期：2010.4.12

  Condensation of 8-formyl-7-hydroxyflavones (2a-f) and 8-formyl-7-hydroxy-2-(2'-furyl)-3-methylchromone (2g) with methyl vinyl ketone (3), acrolein (4), and acrylonitrile (5) in the presence of diazabicyclo[2.2.2]octane (DABCO) under an N2 atmosphere at room temperature using Baylis-Hillman reaction conditions afforded 9-acetyl/formyl/cyano-substituted pyrano2,3-f]flavones (6a-f, 7a-f, 8a-f) and chromones (6g, 7g, 8g).