[6-[2-[2-[2-[6-(Methylsulfonyloxymethyl)pyridin-2-yl]ethynyl]phenyl]ethynyl]pyridin-2-yl]methyl methanesulfonate | 1258169-42-4

• 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: [6-[2-[2-[2-[6-(Methylsulfonyloxymethyl)pyridin-2-yl]ethynyl]phenyl]ethynyl]pyridin-2-yl]methyl methanesulfonate
• 英文别名: [6-[2-[2-[2-[6-(methylsulfonyloxymethyl)pyridin-2-yl]ethynyl]phenyl]ethynyl]pyridin-2-yl]methyl methanesulfonate
• CAS: 1258169-42-4
• 化学式: C₂₄H₂₀N₂O₆S₂
• 分子量: 496.565
• InChiKey: HQUITUDOSNFPIJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  34
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  129
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  乙二醇甲醚 、 [6-[2-[2-[2-[6-(Methylsulfonyloxymethyl)pyridin-2-yl]ethynyl]phenyl]ethynyl]pyridin-2-yl]methyl methanesulfonate 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 0.5h， 以100%的产率得到2-(2-Methoxyethoxymethyl)-6-[2-[2-[2-[6-(2-methoxyethoxymethyl)pyridin-2-yl]ethynyl]phenyl]ethynyl]pyridine
  参考文献：
  名称：

  Complexation of silver(I) cation by a series of heterosubstituted dipyridyl ligands

  摘要：

  The synthesis of a series of dipyridyl ligands based on 1,2-bis(2'-pyridylethynyl) benzene and their complexation of silver cation is described. NMR binding studies confirm that the incorporation of thioether appendages results in an increased binding constant while ether appendages result in similar or lower binding constants as compared to the unsubstituted ligand. X-ray crystallographic analysis confirms that steric hinderance is critical. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.07.078
• 作为产物：
  描述：

  [6-[2-[2-[2-[6-(Hydroxymethyl)pyridin-2-yl]ethynyl]phenyl]ethynyl]pyridin-2-yl]methanol 、 甲基磺酰氯 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以100%的产率得到[6-[2-[2-[2-[6-(Methylsulfonyloxymethyl)pyridin-2-yl]ethynyl]phenyl]ethynyl]pyridin-2-yl]methyl methanesulfonate
  参考文献：
  名称：

  Complexation of silver(I) cation by a series of heterosubstituted dipyridyl ligands

  摘要：

  The synthesis of a series of dipyridyl ligands based on 1,2-bis(2'-pyridylethynyl) benzene and their complexation of silver cation is described. NMR binding studies confirm that the incorporation of thioether appendages results in an increased binding constant while ether appendages result in similar or lower binding constants as compared to the unsubstituted ligand. X-ray crystallographic analysis confirms that steric hinderance is critical. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.07.078

文献信息

• Complexation of silver(I) cation by a series of heterosubstituted dipyridyl ligands
  作者：Nathan L. Brennan、Charles L. Barnes、Eric Bosch

  DOI：10.1016/j.ica.2010.07.078

  日期：2010.11

  The synthesis of a series of dipyridyl ligands based on 1,2-bis(2'-pyridylethynyl) benzene and their complexation of silver cation is described. NMR binding studies confirm that the incorporation of thioether appendages results in an increased binding constant while ether appendages result in similar or lower binding constants as compared to the unsubstituted ligand. X-ray crystallographic analysis confirms that steric hinderance is critical. (C) 2010 Elsevier B.V. All rights reserved.