(E)-2'-hydroxy-6-methoxyaurone | 77764-91-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 橙酮类黄酮
• 英文名称: (E)-2'-hydroxy-6-methoxyaurone
• 英文别名: 2-(Salicyliden)-6-methoxy-cumaranon；(2E)-2-[(2-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one
• CAS: 77764-91-1
• 化学式: C₁₆H₁₂O₄
• 分子量: 268.269
• InChiKey: ICMWTPVWUOBMQZ-OVCLIPMQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (E)-2'-hydroxy-6-methoxyaurone 、 氘代碘甲烷 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 1.5h， 生成 2'-(E)-trideuteromethoxy-6-methoxyaurone
  参考文献：
  名称：

  Proximity effects in the electron impact mass spectra of aurones and related compounds

  摘要：

  AbstractThe principal ions in the electron impact mass spectra of a series of 6‐methoxyaurones have been shown to be due to four separate reactions associated with proximity effects involving the phenyl group and the coumaran‐one residue. A detailed study with labelled derivatives has been supplemented by a study of the vinylogue 2‐cinnamylidene‐6‐methoxycoumaran‐3‐one and compounds in which the aurone phenyl group has been replaced by α‐naphthyl, β‐naphthyl and 9‐anthryl.

  DOI：

  10.1002/oms.1210151102

文献信息

• Proximity effects in the electron impact mass spectra of aurones and related compounds
  作者：R. J. Goldsack、J. S. Shannon

  DOI：10.1002/oms.1210151102

  日期：1980.11

  AbstractThe principal ions in the electron impact mass spectra of a series of 6‐methoxyaurones have been shown to be due to four separate reactions associated with proximity effects involving the phenyl group and the coumaran‐one residue. A detailed study with labelled derivatives has been supplemented by a study of the vinylogue 2‐cinnamylidene‐6‐methoxycoumaran‐3‐one and compounds in which the aurone phenyl group has been replaced by α‐naphthyl, β‐naphthyl and 9‐anthryl.