3,7-Dimethylisochromeno[3,4-b]pyridin-6-one | 1097018-48-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 3,7-Dimethylisochromeno[3,4-b]pyridin-6-one
• 英文别名: 3,7-dimethylisochromeno[3,4-b]pyridin-6-one
• CAS: 1097018-48-8
• 化学式: C₁₄H₁₁NO₂
• 分子量: 225.247
• InChiKey: IBTGWBUXEHYZFC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  对甲苯甲酸 、 potassium trifluoro(2-fluoro-6-methylpyridin-3-yl)borate 在 dipotassium hydrogenphosphate 、 氧气 、 palladium diacetate 、 对苯醌 作用下， 以 tetr-butanol 为溶剂， 100.0 ℃ 、3.04 MPa 条件下， 反应 48.0h， 以74%的产率得到3,7-Dimethylisochromeno[3,4-b]pyridin-6-one
  参考文献：
  名称：

  Versatile Pd(II)-Catalyzed C−H Activation/Aryl−Aryl Coupling of Benzoic and Phenyl Acetic Acids

  摘要：

  The use of aryltrifluoroborates as coupling partners and O-2 as the oxidant substantially improves the scope and practicality of the Pd-catalyzed C-H activation/C-C coupling reaction. The newly discovered protocol made possible, for the first time, the orthocoupling of electron-deficient arenes and phenyl acetic acids With organometallic reagents.

  DOI：

  10.1021/ja806681z

文献信息

• Versatile Pd(II)-Catalyzed C−H Activation/Aryl−Aryl Coupling of Benzoic and Phenyl Acetic Acids
  作者：Dong-Hui Wang、Tian-Sheng Mei、Jin-Quan Yu

  DOI：10.1021/ja806681z

  日期：2008.12.31

  The use of aryltrifluoroborates as coupling partners and O-2 as the oxidant substantially improves the scope and practicality of the Pd-catalyzed C-H activation/C-C coupling reaction. The newly discovered protocol made possible, for the first time, the orthocoupling of electron-deficient arenes and phenyl acetic acids With organometallic reagents.