(E)-6-methoxy-2'-methylaurone

• 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)-6-methoxy-2'-methylaurone
• 英文别名: 6-Methoxy-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one
• 化学式: C₁₇H₁₄O₃
• mdl: MFCD04163627
• 分子量: 266.296
• InChiKey: XKZIXQXQVDIDCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 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：

  6-甲氧基-3-苯并呋喃酮 、 2-甲基苯甲醛 以 乙醇 为溶剂， 反应 24.0h， 生成 (E)-6-methoxy-2'-methylaurone
  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by a study of the vinylogue 2‐cinnamylidene‐6‐methoxycoumaran‐3‐one and compounds in which the aurone phenyl group has been replaced by α‐naphthyl, β‐naphthyl and 9‐anthryl.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