N-(6-ethynyl-2-pyridyl)-3-n-octoxybenzamide | 251640-58-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(6-ethynyl-2-pyridyl)-3-n-octoxybenzamide
• 英文别名: N-(6-ethynylpyridin-2-yl)-3-octoxybenzamide
• CAS: 251640-58-1
• 化学式: C₂₂H₂₆N₂O₂
• 分子量: 350.461
• InChiKey: QIPBOEYLOFPGNX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  26
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  51.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,6-二溴吡啶 、 N-(6-ethynyl-2-pyridyl)-3-n-octoxybenzamide 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 二乙胺 作用下， 反应 12.0h， 以65%的产率得到3-octoxy-N-[6-[2-[6-[2-[6-[(3-octoxybenzoyl)amino]pyridin-2-yl]ethynyl]pyridin-2-yl]ethynyl]pyridin-2-yl]benzamide
  参考文献：
  名称：

  Glucopyranoside Recognition by Polypyridine-Macrocyclic Receptors Possessing a Wide Cavity with a Flexible Linkage

  摘要：

  New polypyridine-macrocyclic receptors for glucopyranosides were designed and synthesized. The artificial receptors possess a terpyridine skeleton asa hydrogen-bonding site and a flexible polyoxyethylene chain as a bridge for the macrocyclic structure, in which the cavity of the receptors is large enough to incorporate pyranosides, The receptors showed high affinities for n-octyl beta-(D)-glucopyranoside, and selective binding of the receptors was observed between epimeric pyranosides. The results obtained in this paper demonstrated versatility of the terpyridine skeleton as a hydrogen-bonding site for saccharides.

  DOI：

  10.1021/jo9911138
• 作为产物：
  描述：

  3-羟基苯甲酸正丁酯 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 氢氧化钾 、 2-氯-1-甲基吡啶碘化物 、 sodium hydride 、 potassium carbonate 、 二乙胺 、 三乙胺 作用下， 以 乙醇 、 丙酮 、 甲苯 、 乙腈 为溶剂， 反应 38.17h， 生成 N-(6-ethynyl-2-pyridyl)-3-n-octoxybenzamide
  参考文献：
  名称：

  Glucopyranoside Recognition by Polypyridine-Macrocyclic Receptors Possessing a Wide Cavity with a Flexible Linkage

  摘要：

  New polypyridine-macrocyclic receptors for glucopyranosides were designed and synthesized. The artificial receptors possess a terpyridine skeleton asa hydrogen-bonding site and a flexible polyoxyethylene chain as a bridge for the macrocyclic structure, in which the cavity of the receptors is large enough to incorporate pyranosides, The receptors showed high affinities for n-octyl beta-(D)-glucopyranoside, and selective binding of the receptors was observed between epimeric pyranosides. The results obtained in this paper demonstrated versatility of the terpyridine skeleton as a hydrogen-bonding site for saccharides.

  DOI：

  10.1021/jo9911138