6-chloro-4-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 新黄酮类化合物
• 英文名称: 6-chloro-4-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one
• 化学式: C₁₇H₁₅ClO₃
• 分子量: 302.757
• InChiKey: QZGNQZDDZPIBRX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 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：

  (E)-4-chloro-3-methylphenyl 3-(4-methoxyphenyl)acrylate 在 三氟乙酸 作用下， 反应 72.0h， 生成 6-chloro-4-(4-methoxyphenyl)-5-methyl-3,4-dihydrochromen-2-one 、 6-chloro-4-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one
  参考文献：
  名称：

  Trifluoroacetic Acid-Mediated Hydroarylation:  Synthesis of Dihydrocoumarins and Dihydroquinolones

  摘要：

  Trifluoroacetic acid mediates the hydroarylation of alkenes to afford dihydrocoumarins and dihydroquinolones in good yield. Intermolecular hydroarylation of cinnamic acids by phenols is particularly facile, which leads to the conclusion that previous reports of palladium-catalyzed hydroarylation of cinnamic acids in trifluoroacetic acid are erroneous.

  DOI：

  10.1021/jo0477650

文献信息

• Trifluoroacetic Acid-Mediated Hydroarylation:  Synthesis of Dihydrocoumarins and Dihydroquinolones
  作者：Kelin Li、Lindsay N. Foresee、Jon A. Tunge

  DOI：10.1021/jo0477650

  日期：2005.4.1

  Trifluoroacetic acid mediates the hydroarylation of alkenes to afford dihydrocoumarins and dihydroquinolones in good yield. Intermolecular hydroarylation of cinnamic acids by phenols is particularly facile, which leads to the conclusion that previous reports of palladium-catalyzed hydroarylation of cinnamic acids in trifluoroacetic acid are erroneous.