1-(2-Fluor-benzyl)-6,7-dimethoxy-3,4-dihydro-isochinolin | 47216-46-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 1-(2-Fluor-benzyl)-6,7-dimethoxy-3,4-dihydro-isochinolin
• 英文别名: 1-(2-fluoro-benzyl)-6,7-dimethoxy-3,4-dihydro-isoquinoline；1-[(2-Fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
• CAS: 47216-46-6
• 化学式: C₁₈H₁₈FNO₂
• 分子量: 299.345
• InChiKey: ANFKLMVFNOLHBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  30.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  邻溴氟苯 、 1-甲基-6,7-二甲氧基-3,4-二氢异喹啉 在 potassium phosphate 、 palladium diacetate 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲苯 为溶剂， 反应 18.0h， 生成 1-(2-Fluor-benzyl)-6,7-dimethoxy-3,4-dihydro-isochinolin
  参考文献：
  名称：

  Mild and General Method for the α-Arylation of Heteroaromatic Ketones

  摘要：

  The development of a general and mild method for Pd-catalyzed alpha-arylation of a variety of ketones bearing multiple heteroatoms is described. The ligand to metal ratio and the position of the heteroatoms with respect to the carbonyl moiety significantly impact the efficiency of these transformations. In addition, these conditions were successfully applied to the alpha-arylation of cyclic imines. A detailed investigation of the scope of this methodology, including the effect of the ligand to metal ratio, is discussed.

  DOI：

  10.1021/ol1000318

文献信息

• Mild and General Method for the α-Arylation of Heteroaromatic Ketones
  作者：Lopa V. Desai、Danan T. Ren、Thorsten Rosner

  DOI：10.1021/ol1000318

  日期：2010.3.5

  The development of a general and mild method for Pd-catalyzed alpha-arylation of a variety of ketones bearing multiple heteroatoms is described. The ligand to metal ratio and the position of the heteroatoms with respect to the carbonyl moiety significantly impact the efficiency of these transformations. In addition, these conditions were successfully applied to the alpha-arylation of cyclic imines. A detailed investigation of the scope of this methodology, including the effect of the ligand to metal ratio, is discussed.