5-methyl-2-(pyridin-2-yl)phenyl 3-methylbenzoate | 1373875-32-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 5-methyl-2-(pyridin-2-yl)phenyl 3-methylbenzoate
• 英文别名: (5-Methyl-2-pyridin-2-ylphenyl) 3-methylbenzoate；(5-methyl-2-pyridin-2-ylphenyl) 3-methylbenzoate
• CAS: 1373875-32-1
• 化学式: C₂₀H₁₇NO₂
• 分子量: 303.36
• InChiKey: JFKNBFPZPRRPFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 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-(4-甲基苯基)吡啶 、 3-甲基苯乙炔 在 叔丁基过氧化氢 、 copper diacetate 作用下， 以 癸烷 为溶剂， 反应 14.0h， 以71%的产率得到5-methyl-2-(pyridin-2-yl)phenyl 3-methylbenzoate
  参考文献：
  名称：

  Terminal Aryl Alkenes and Alkynes as Arylcarboxy Surrogates toward o-Benzoxylation of 2-Phenylpyridine Catalyzed by Copper

  摘要：

  A variety of styrenes and phenylacetylenes serve as excellent arylcarboxy sources in bringing about substrate directed o-benzoxylation of 2-phenylpyridine derivatives catalyzed by Cu(II) in the presence of TBHP. This reaction proceeds via formation of phenylglyoxal followed by decarbonylation to benzoyl radical/benzaldehyde which acts as the arylcarboxy source.

  DOI：

  10.1021/ol500224e

文献信息

• ‘Ligand-free’ palladium-catalyzed direct C–H bond oxidative acyloxylation of 2-arylpyridines with aromatic carboxylic acids
  作者：Chao-Jun Hu、Xiao-Hong Zhang、Qiu-Ping Ding、Ting Lv、Shao-Peng Ge、Ping Zhong

  DOI：10.1016/j.tetlet.2012.03.022

  日期：2012.5

  A palladium-catalyzed direct C–H bond oxidative acyloxylation of 2-arylpyridines with aromatic carboxylic acids is described. Several 2-arylpyridines derivatives and aromatic carboxylic acids participate in the reaction, providing a series of mono-acyloxylated products in moderate to good yields. Importantly, the reaction can be conducted without using any ligands in a lower temperature.

  描述了2-芳基吡啶与芳族羧酸的钯催化直接CH键氧化酰氧基化反应。几种2-芳基吡啶衍生物和芳族羧酸参与该反应，以中等至良好的产率提供了一系列单酰氧基化的产物。重要的是，可以在较低温度下不使用任何配体的情况下进行反应。
• Benzylic ethers as arylcarboxy surrogates in substrate directed ortho C–H functionalisation catalysed by copper
  作者：Nilufa Khatun、Arghya Banerjee、Sourav Kumar Santra、Wajid Ali、Bhisma K. Patel

  DOI：10.1039/c5ra03462k

  日期：——

  A copper catalysed o-benzoxylation of 2-arylpyridines has been accomplished using benzylic ethers as the alternative arylcarboxy sources (ArCOO–).

  一种铜催化的2-芳基吡啶的o-苯甲氧基化反应已经成功地利用苄基醚作为替代芳基羧酸源（ArCOO–）。