2-(6',2''-bipyrid-2'-yl)-3-(2-pyridyl)pyrazine | 210771-39-4

• 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: 2-(6',2''-bipyrid-2'-yl)-3-(2-pyridyl)pyrazine
• 英文别名: 2-Pyridin-2-yl-3-(6-pyridin-2-ylpyridin-2-yl)pyrazine
• CAS: 210771-39-4
• 化学式: C₁₉H₁₃N₅
• 分子量: 311.346
• InChiKey: GBCASNANRWPIHI-UHFFFAOYSA-N

物化性质

• 沸点：
  465.4±40.0 °C(Predicted)
• 密度：
  1.238±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  64.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(6',2''-bipyrid-2'-yl)-3-(2-pyridyl)pyrazine 、 zinc(II) chloride 以 氯仿 、 乙腈 为溶剂， 以80%的产率得到2-(6',2''-bipyrid-2'-yl)-3-(2-pyridyl)pyrazine-zinc chloride
  参考文献：
  名称：

  Helical zinc complexes of pyrazine–pyridine hybrids

  摘要：

  The zinc(II) complexes 1aZnCl(2) and 1bZnCl(2) (1a: 2-(6,2"-bipyrid-2'-yl)-3-(2-pyridyl)pyrazine; 1b: 2-(6',2'-bipyrid-2'-yl)-5,6-dinitrilo-3-(2-pyridyl)pyrazine) were prepared by treatment of the ligands with ZnCl2. The structures of both were investigated by Xray crystallography and H-1 NMR spectroscopy. Both complexes display proton deshielding phenomena that are attributed to a twisted solution-state molecular conformation. In the solid state, 1aZnCl(2) exhibits a high degree of torsion about the axis through the uncomplexed pyridine ring and the pendant chlorine atoms. The solid-state structure and solution-state self-associative behavior of 1bZnCl(2) are indicative of a partial self-assembly motif. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2003.12.013
• 作为产物：
  描述：

  6-氰基-2,2'-联吡啶 在 水 、 sodium methylate 、 四氯苯醌 、 碳酸氢钠 、 间氯过氧苯甲酸 、 lithium diisopropyl amide 作用下， 以 乙醚 、 乙醇 、 二氯甲烷 、 xylene 为溶剂， 反应 15.0h， 生成 2-(6',2''-bipyrid-2'-yl)-3-(2-pyridyl)pyrazine
  参考文献：
  名称：

  Preparation of Non-Symmetrical 2,3-Bis-(2,2′-oligopyridyl)pyrazines via 1,2-Disubstituted Ethanones

  摘要：

  DOI：

  10.1055/s-1999-2800

文献信息

• Self-assembly of a helical dicopper(I) metallophane
  作者：Thomas Bark、Fenton Heirtzler、Thomas Weyhermüller、Fenton Heirtzler

  DOI：10.1039/a802709i

  日期：——

  X-Ray crystallographic and 1H NMR spectroscopic studies show that, in the presence of copper(I), an oligopyridyl pyrazine derivative spontaneously forms a single chiral, cyclophane-like dimeric complex and that this is the sole species present in solution and the solid state.

  X 射线晶体学和 1H NMR 光谱研究表明，在铜（I）存在的情况下，一种低聚吡啶基吡嗪衍生物会自发形成单一的手性环烷类二聚体络合物，并且这是溶液和固态中存在的唯一物种。
• Preparation of Non-Symmetrical 2,3-Bis-(2,2′-oligopyridyl)pyrazines via 1,2-Disubstituted Ethanones
  作者：Fenton R. Heirtzler

  DOI：10.1055/s-1999-2800

  日期：1999.8
• Helical zinc complexes of pyrazine–pyridine hybrids
  作者：S.I.G Dias、Fenton Heirtzler、T Bark、Gael Labat、Antonia Neels

  DOI：10.1016/j.poly.2003.12.013

  日期：2004.3

  The zinc(II) complexes 1aZnCl(2) and 1bZnCl(2) (1a: 2-(6,2"-bipyrid-2'-yl)-3-(2-pyridyl)pyrazine; 1b: 2-(6',2'-bipyrid-2'-yl)-5,6-dinitrilo-3-(2-pyridyl)pyrazine) were prepared by treatment of the ligands with ZnCl2. The structures of both were investigated by Xray crystallography and H-1 NMR spectroscopy. Both complexes display proton deshielding phenomena that are attributed to a twisted solution-state molecular conformation. In the solid state, 1aZnCl(2) exhibits a high degree of torsion about the axis through the uncomplexed pyridine ring and the pendant chlorine atoms. The solid-state structure and solution-state self-associative behavior of 1bZnCl(2) are indicative of a partial self-assembly motif. (C) 2004 Elsevier Ltd. All rights reserved.