2-(Phenylmethoxy)-3-<2-<2-(phenylmethoxy)-5-pyridinyl>ethynyl>pyridine | 161488-96-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(Phenylmethoxy)-3-<2-<2-(phenylmethoxy)-5-pyridinyl>ethynyl>pyridine
• 英文别名: 2-Phenylmethoxy-3-[2-(6-phenylmethoxypyridin-3-yl)ethynyl]pyridine
• CAS: 161488-96-6
• 化学式: C₂₆H₂₀N₂O₂
• 分子量: 392.457
• InChiKey: QPCSBVZPENTUMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  44.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(Phenylmethoxy)-3-<2-<2-(phenylmethoxy)-5-pyridinyl>ethynyl>pyridine 在 三氟乙酸 作用下， 反应 2.0h， 以56%的产率得到2-(1,2-Dihydro-2-oxo-5-pyridinyl)furo<2,3-b>pyridine
  参考文献：
  名称：

  Use of Hydrogen Bonds to Control Molecular Aggregation. Behavior of Dipyridones and Pyridone-Pyrimidones Designed To Form Cyclic Triplexes

  摘要：

  The tendency of 2-pyridones and related heterocycles to form cyclic hydrogen-bonded dimers allows them to be used as sticky sites that induce molecules in which they are incorporated to associate in particular ways. Compound 7, which is constructed from pyridone and pyrimidone subunits linked to a rigid linear acetylenic spacer, incorporates an array of hydrogen-bonding sites designed to favor the formation of a cyclic tripler. Pyridone-pyrimidone 7 was synthesized and the structure of its DMSO solvate was determined by X-ray crystallography. Aggregation does not produce a cyclic tripler but rather gives chains in which adjacent molecules of compound 7 are linked by single hydrogen bonds.

  DOI：

  10.1021/jo00110a050
• 作为产物：
  描述：

  2,5-二溴吡啶 在 四(三苯基膦)钯 、 二苯并-18-冠醚-6 、 正丁基锂 、 zinc(II) chloride 作用下， 以 甲苯 为溶剂， 反应 17.0h， 生成 2-(Phenylmethoxy)-3-<2-<2-(phenylmethoxy)-5-pyridinyl>ethynyl>pyridine
  参考文献：
  名称：

  Use of Hydrogen Bonds to Control Molecular Aggregation. Behavior of Dipyridones and Pyridone-Pyrimidones Designed To Form Cyclic Triplexes

  摘要：

  The tendency of 2-pyridones and related heterocycles to form cyclic hydrogen-bonded dimers allows them to be used as sticky sites that induce molecules in which they are incorporated to associate in particular ways. Compound 7, which is constructed from pyridone and pyrimidone subunits linked to a rigid linear acetylenic spacer, incorporates an array of hydrogen-bonding sites designed to favor the formation of a cyclic tripler. Pyridone-pyrimidone 7 was synthesized and the structure of its DMSO solvate was determined by X-ray crystallography. Aggregation does not produce a cyclic tripler but rather gives chains in which adjacent molecules of compound 7 are linked by single hydrogen bonds.

  DOI：

  10.1021/jo00110a050

文献信息

• Use of Hydrogen Bonds to Control Molecular Aggregation. Behavior of Dipyridones and Pyridone-Pyrimidones Designed To Form Cyclic Triplexes
  作者：Eric Boucher、Michel Simard、James D. Wuest

  DOI：10.1021/jo00110a050

  日期：1995.3

  The tendency of 2-pyridones and related heterocycles to form cyclic hydrogen-bonded dimers allows them to be used as sticky sites that induce molecules in which they are incorporated to associate in particular ways. Compound 7, which is constructed from pyridone and pyrimidone subunits linked to a rigid linear acetylenic spacer, incorporates an array of hydrogen-bonding sites designed to favor the formation of a cyclic tripler. Pyridone-pyrimidone 7 was synthesized and the structure of its DMSO solvate was determined by X-ray crystallography. Aggregation does not produce a cyclic tripler but rather gives chains in which adjacent molecules of compound 7 are linked by single hydrogen bonds.