2'-pyridin-2-yl-1,1':3',1''-terphenyl-4,4''-dicarboxylic acid diethyl ester

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2'-pyridin-2-yl-1,1':3',1''-terphenyl-4,4''-dicarboxylic acid diethyl ester
• 英文别名: Ethyl 4-[3-(4-ethoxycarbonylphenyl)-2-pyridin-2-ylphenyl]benzoate
• 化学式: C₂₉H₂₅NO₄
• 分子量: 451.522
• InChiKey: OKVXAHIEGLXKFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  65.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-苯基吡啶 、 4-氯苯甲酸乙酯 在 [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ potassium carbonate 、 di-1-adamantylphosphine oxide 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 8.0h， 以85%的产率得到2'-pyridin-2-yl-1,1':3',1''-terphenyl-4,4''-dicarboxylic acid diethyl ester
  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

• [RuCl₃(H₂O)_n]-Catalyzed Direct Arylations with Bromides as Electrophiles
  作者：Lutz Ackermann、Andreas Althammer、Robert Born

  DOI：10.1055/s-2007-990838

  日期：——

  Catalytic amounts of [RuCl3(H2O)n] allow for direct ­arylations via C-H bond functionalization with aryl bromides, ­bearing a variety of important functional groups.

  催化量的[RuCl3(H2O)n]可以通过 C-H 键官能化直接与芳基溴化物发生芳基化反应，芳基溴化物含有多种重要的官能团。
• [RuCl3(H2O)n]-catalyzed direct arylations
  作者：Lutz Ackermann、Andreas Althammer、Robert Born

  DOI：10.1016/j.tet.2008.01.050

  日期：2008.6

  Catalytic amounts of economically attractive [RuCl3(H2O)(n)] allow for direct arylations via C-H bond functionalization with aryl bromides under phosphine ligand-free reaction conditions. Thereby, a variety of functionalized (hetero)aryl bromides, bearing either electron-withdrawing or electron-releasing substituents, can be employed for direct arylations of pyridine, oxazoline, pyrazole, or ketimine derivatives as pronucleophiles. (C) 2008 Elsevier Ltd. All rights reserved.
• 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.