ethyl 3'-methyl-2'-(pyridin-2-yl)-[1,1'-biphenyl]-4-carboxylate | 1251668-03-7

• 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: ethyl 3'-methyl-2'-(pyridin-2-yl)-[1,1'-biphenyl]-4-carboxylate
• 英文别名: 4-ethoxycarbonyl-3'-methyl-2'-(pyridin-2-yl)biphenyl；Ethyl 4-(3-methyl-2-pyridin-2-ylphenyl)benzoate；ethyl 4-(3-methyl-2-pyridin-2-ylphenyl)benzoate
• CAS: 1251668-03-7
• 化学式: C₂₁H₁₉NO₂
• 分子量: 317.387
• InChiKey: VLJBDZSFZRXFGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  24
• 可旋转键数：
  5
• 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：

  2-(邻甲苯)吡啶 、 4-氯苯甲酸乙酯 在 (p-伞花烃)双(均三甲苯羧基)钌(II) 、 potassium carbonate 作用下， 以 甲苯 为溶剂， 反应 18.0h， 以98%的产率得到ethyl 3'-methyl-2'-(pyridin-2-yl)-[1,1'-biphenyl]-4-carboxylate
  参考文献：
  名称：

  Mechanistic Insight into Direct Arylations with Ruthenium(II) Carboxylate Catalysts

  摘要：

  Mechanistic studies revealed ruthenium-catalyzed direct arylations to proceed through reversible C-H bond activation and subsequent rate-limiting oxidative addition with aryl halides, which led to the development of widely applicable well-defined ruthenium(II) carboxylate catalysts.

  DOI：

  10.1021/ol102187e

文献信息

• One‐Pot Tandem Photoredox and Cross‐Coupling Catalysis with a Single Palladium Carbodicarbene Complex
  作者：Yu‐Cheng Hsu、Vincent C.‐C. Wang、Ka‐Chun Au‐Yeung、Chung‐Yu Tsai、Chun‐Chi Chang、Bo‐Chao Lin、Yi‐Tsu Chan、Chao‐Ping Hsu、Glenn P. A. Yap、Titel Jurca、Tiow‐Gan Ong

  DOI：10.1002/anie.201800951

  日期：2018.4.16

  transition‐metal‐catalyzed coupling (2 e− process) and photoredox catalysis (1 e− process) has emerged as a powerful approach to catalyze difficult cross‐coupling reactions under mild reaction conditions. Reported is a palladium carbodicarbene (CDC) complex that mediates both a Suzuki–Miyaura coupling and photoredox catalysis for C−N bond formation upon visible‐light irradiation. These two catalytic pathways

  常规的过渡金属催化的偶联（2的组合 ë -和photoredox催化（1过程）  ë -处理）已经成为一种强有力的方法来催化温和反应条件下难以交叉偶联反应。报道了一种钯碳二碳烯（CDC）复合物，它在可见光照射下介导铃木-宫浦偶合和光氧化还原催化C-N键的形成。这两种催化途径可以结合起来，以促进传统的过渡金属催化的偶合和光氧化还原催化，在环境条件下用单一催化剂在高效的一锅法中介导CH芳基化。
• Mechanistic Insight into Direct Arylations with Ruthenium(II) Carboxylate Catalysts
  作者：Lutz Ackermann、Rubén Vicente、Harish K. Potukuchi、Valentina Pirovano

  DOI：10.1021/ol102187e

  日期：2010.11.5

  Mechanistic studies revealed ruthenium-catalyzed direct arylations to proceed through reversible C-H bond activation and subsequent rate-limiting oxidative addition with aryl halides, which led to the development of widely applicable well-defined ruthenium(II) carboxylate catalysts.