1-(4',5-dimethoxy-[1,1'-biphenyl]-2-yl)ethanone

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4',5-dimethoxy-[1,1'-biphenyl]-2-yl)ethanone
• 英文别名: 4-methoxy-2-(4'-methoxyphenyl)phenylethanone；4-Methoxy-2-(4-methoxy-phenyl)-acetophenon；1-[4-Methoxy-2-(4-methoxyphenyl)phenyl]ethanone；1-[4-methoxy-2-(4-methoxyphenyl)phenyl]ethanone
• 化学式: C₁₆H₁₆O₃
• 分子量: 256.301
• InChiKey: IIZLPJXZYGLIKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 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：

  4-氯苯甲醚 、 N,1-bis(4-methoxyphenyl)ethan-1-imine 在 [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 3 A molecular sieve 、 potassium carbonate 、 di-1-adamantylphosphine oxide 、 盐酸 作用下， 以 N-甲基吡咯烷酮 、 乙醚 为溶剂， 反应 27.0h， 以69%的产率得到1-(4',5-dimethoxy-[1,1'-biphenyl]-2-yl)ethanone
  参考文献：
  名称：

  Phosphine Oxides as Preligands in Ruthenium-Catalyzed Arylations via C−H Bond Functionalization Using Aryl Chlorides

  摘要：

  The use of air-stable, electron-rich phosphine oxides as preligands allows for unprecedented general ruthenium-catalyzed arylation reactions of pyridines and imines through C-H-bond activation using aryl chlorides. The catalytic system derived from a sterically hindered adamantyl-substituted phosphine oxide proves highly efficient and tolerates a number of important functional groups.

  DOI：

  10.1021/ol051216e

文献信息

• Cobalt-Catalyzed <i>Ortho</i>-Arylation of Aromatic Imines with Aryl Chlorides
  作者：Ke Gao、Pin-Sheng Lee、Chong Long、Naohiko Yoshikai

  DOI：10.1021/ol301934y

  日期：2012.8.17

  An ortho-arylation reaction of aromatic imines with aryl chlorides has been achieved using a cobalt N-heterocyclic carbene catalyst in combination with a neopentyl Grignard reagent. The reaction takes place at room temperature to afford biaryl products in moderate to good yields.
• Phosphine Oxides as Preligands in Ruthenium-Catalyzed Arylations via C−H Bond Functionalization Using Aryl Chlorides
  作者：Lutz Ackermann

  DOI：10.1021/ol051216e

  日期：2005.7.1

  The use of air-stable, electron-rich phosphine oxides as preligands allows for unprecedented general ruthenium-catalyzed arylation reactions of pyridines and imines through C-H-bond activation using aryl chlorides. The catalytic system derived from a sterically hindered adamantyl-substituted phosphine oxide proves highly efficient and tolerates a number of important functional groups.