7-methoxy-α-naphthoflavone | 89504-50-7

• 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-methoxy-α-naphthoflavone
• 英文别名: 7-Methoxy-2-phenyl-4H-naphtho[1,2-b]pyran-4-one；7-methoxy-2-phenylbenzo[h]chromen-4-one
• CAS: 89504-50-7
• 化学式: C₂₀H₁₄O₃
• 分子量: 302.329
• InChiKey: MBVNWTOFSFCUEY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  7-hydroxy-benzoflavone 、 硫酸二甲酯 在 potassium carbonate 作用下， 生成 7-methoxy-α-naphthoflavone
  参考文献：
  名称：

  1H NMR study of naphthoflavones with shift reagents

  摘要：

  AbstractThe complete assignment of the proton NMR spectra of several α‐, β‐ and γ‐ naphthoflavones at 100 MHz using Eu(fod), and double resonance experi‐ ments has been carried out. The compounds were found to associate at the carbonyi oxygen, by analogy with flavones where complete structural assignment can be attained using Pr(fod)3, at 60MHz. The three types of naphthoflavones can be distinguished by observation of the quantitative lanth‐ anide‐induced shifts at H‐3 and/or H‐5, combined with their chemical shift values in the absence of shift reagent.

  DOI：

  10.1002/mrc.1270220217

文献信息

• [13C]NMR study of naphthoflavones
  作者：P. Joseph-Nathan、R.L. Santillan

  DOI：10.1016/0584-8539(84)80136-1

  日期：1984.1
• 1H NMR study of naphthoflavones with shift reagents
  作者：P. Joseph-Nathan、R. L. Santillan

  DOI：10.1002/mrc.1270220217

  日期：1984.2

  AbstractThe complete assignment of the proton NMR spectra of several α‐, β‐ and γ‐ naphthoflavones at 100 MHz using Eu(fod), and double resonance experi‐ ments has been carried out. The compounds were found to associate at the carbonyi oxygen, by analogy with flavones where complete structural assignment can be attained using Pr(fod)3, at 60MHz. The three types of naphthoflavones can be distinguished by observation of the quantitative lanth‐ anide‐induced shifts at H‐3 and/or H‐5, combined with their chemical shift values in the absence of shift reagent.