2,6-Bis[2-[6-ethynyl-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pyridin-2-yl]ethynyl]-4-(methoxymethoxy)pyridine | 1287261-99-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,6-Bis[2-[6-ethynyl-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pyridin-2-yl]ethynyl]-4-(methoxymethoxy)pyridine
• CAS: 1287261-99-7
• 化学式: C₅₉H₈₃N₃O₂₀
• 分子量: 1154.32
• InChiKey: LTGJTNUSUMMOHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  82
• 可旋转键数：
  59
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  223
• 氢给体数：
  0
• 氢受体数：
  23

反应信息

• 作为反应物：
  描述：

  2,6-Bis[2-[6-ethynyl-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pyridin-2-yl]ethynyl]-4-(methoxymethoxy)pyridine 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.42h， 以99%的产率得到2,6-bis[2-[6-ethynyl-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pyridin-2-yl]ethynyl]-1H-pyridin-4-one
  参考文献：
  名称：

  Selective Binding of D_2h-Symmetrical, Acetylene-Linked Pyridine/Pyridone Macrocycles to Maltoside

  摘要：

  A macrocyclic host molecule having pyridine-pyridone-pyridine modules for saccharide recognition was prepared by Cu(II)-mediated oxidative homocoupling of a tandem diethynyl precursor. In CH2Cl2, the host molecule associated with dodecyl beta-maltoside much more strongly K-a = 1.4 x 10(6) M-1) than with octyl monohexosides (K-a = ca. 2 x 10(3) to 1 x 10(4) M-1), accompanied with induced CDs. An all-pyridine macrocyclic host was also studied, and its binding strength with saccharides was weaker than that for the pyridine-pyridone-pyridine host.

  DOI：

  10.1021/jo2003055
• 作为产物：
  描述：

  2,6-Bis[2-[6-iodo-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pyridin-2-yl]ethynyl]-4-(methoxymethoxy)pyridine 在 copper(l) iodide 、 四(三苯基膦)钯 、 四丁基氟化铵 、 水 、 potassium carbonate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 24.5h， 生成 2,6-Bis[2-[6-ethynyl-4-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pyridin-2-yl]ethynyl]-4-(methoxymethoxy)pyridine
  参考文献：
  名称：

  Selective Binding of D_2h-Symmetrical, Acetylene-Linked Pyridine/Pyridone Macrocycles to Maltoside

  摘要：

  A macrocyclic host molecule having pyridine-pyridone-pyridine modules for saccharide recognition was prepared by Cu(II)-mediated oxidative homocoupling of a tandem diethynyl precursor. In CH2Cl2, the host molecule associated with dodecyl beta-maltoside much more strongly K-a = 1.4 x 10(6) M-1) than with octyl monohexosides (K-a = ca. 2 x 10(3) to 1 x 10(4) M-1), accompanied with induced CDs. An all-pyridine macrocyclic host was also studied, and its binding strength with saccharides was weaker than that for the pyridine-pyridone-pyridine host.

  DOI：

  10.1021/jo2003055