1,3-bis(4,5-diphenylpyridin-2-yl)benzene | 1345015-10-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1,3-bis(4,5-diphenylpyridin-2-yl)benzene
• 英文别名: 2-[3-(4,5-Diphenylpyridin-2-yl)phenyl]-4,5-diphenylpyridine；2-[3-(4,5-diphenylpyridin-2-yl)phenyl]-4,5-diphenylpyridine
• CAS: 1345015-10-2
• 化学式: C₄₀H₂₈N₂
• 分子量: 536.676
• InChiKey: ZMRZDTLTBAQIPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.6
• 重原子数：
  42
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  alpha- 溴苯乙烯 在 bis(1,5-cyclooctadiene)nickel (0) 、 四(三苯基膦)钯 、 magnesium 、 三环己基膦 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 108.0h， 生成 1,3-bis(4,5-diphenylpyridin-2-yl)benzene
  参考文献：
  名称：

  Nickel-Catalyzed Dehydrogenative [4 + 2] Cycloaddition of 1,3-Dienes with Nitriles

  摘要：

  Pyridines, which comprise one of the most important classes of the six-membered heterocyclic compounds, are widely distributed in nature, and the transition-metal-catalyzed [2 + 2 + 2] cycloaddition reaction of two alkynes and a nitrile is one of the most powerful methods for preparing versatile, highly substituted pyridine derivatives. However, the lack of chemo- and regioselectivity is still a crucial issue associated with fully intermolecular [2 + 2 + 2] cycloaddition. The present study developed the Ni(0)-catalyzed intermolecular dehydrogenative [4 + 2] cycloaddition reaction of 1,3-butadienes with nitrites to give a variety of pyridines regioselectively.

  DOI：

  10.1021/ja208162w

文献信息

• Nickel-Catalyzed Dehydrogenative [4 + 2] Cycloaddition of 1,3-Dienes with Nitriles
  作者：Masato Ohashi、Ippei Takeda、Masashi Ikawa、Sensuke Ogoshi

  DOI：10.1021/ja208162w

  日期：2011.11.16

  Pyridines, which comprise one of the most important classes of the six-membered heterocyclic compounds, are widely distributed in nature, and the transition-metal-catalyzed [2 + 2 + 2] cycloaddition reaction of two alkynes and a nitrile is one of the most powerful methods for preparing versatile, highly substituted pyridine derivatives. However, the lack of chemo- and regioselectivity is still a crucial issue associated with fully intermolecular [2 + 2 + 2] cycloaddition. The present study developed the Ni(0)-catalyzed intermolecular dehydrogenative [4 + 2] cycloaddition reaction of 1,3-butadienes with nitrites to give a variety of pyridines regioselectively.