| 1378991-32-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1378991-32-2
• 化学式: C₁₀₄H₁₃₈N₆O₇Si
• 分子量: 1612.36
• InChiKey: PZPLPRKBEMFXGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  24.41
• 重原子数：
  118.0
• 可旋转键数：
  51.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  152.95
• 氢给体数：
  1.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  在 四丁基氟化铵 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以92%的产率得到2-Methyl-4-[6-[2-[6-[2-[6-[2-[6-[2-[6-[2-(6-octa-1,7-diynyl-4-octoxypyridin-2-yl)ethynyl]-4-octoxypyridin-2-yl]ethynyl]-4-octoxypyridin-2-yl]ethynyl]-4-octoxypyridin-2-yl]ethynyl]-4-octoxypyridin-2-yl]ethynyl]-4-octoxypyridin-2-yl]but-3-yn-2-ol
  参考文献：
  名称：

  Development of convergent synthetic method for saccharide-linked ethynylpyridine foldamers by Huisgen reaction

  摘要：

  Based on 'click chemistry', the new convergent synthesis to a variety of saccharide-linked 2,6-pyridylene ethynylene 'ethynylpyridine' foldamers was developed. Ethynylpyridine 6-, 9-, and 12-meric blocks were linked with 1,7-octadiyne linker block by Sonogashira reaction, and joined with azido group-introduced glucoside, galactoside, and mannoside templates by Huisgen reaction. The resulting saccharide-linked ethynylpyridine foldamers exhibited typical circular dichroism to indicate the formation of a helical structure by intramolecular hydrogen bonds. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.02.069
• 作为产物：
  描述：

  4-(6-((6-((6-((6-((6-((6-iodo-4-(octyloxy)pyridin-2-yl)ethynyl)-4-(octyloxy)pyridin-2-yl)ethynyl)-4-(octyloxy)pyridin-2-yl)ethynyl)-4-(octyloxy)pyridin-2-yl)ethynyl)-4-(octyloxy)pyridin-2-yl)ethynyl)-4-(octyloxy)pyridin-2-yl)-2-methylbut-3-yn-2-ol 、 1-(trimethylsilyl)-1,7-octadiyne 在 tris(dibenzylideneacetone)dipalladium(0) chloroform complex 、 copper(l) iodide 、 N,N-二异丙基乙胺 、 三(邻甲基苯基)磷 作用下， 以 四氢呋喃 为溶剂， 反应 8.0h， 以71%的产率得到
  参考文献：
  名称：

  Development of convergent synthetic method for saccharide-linked ethynylpyridine foldamers by Huisgen reaction

  摘要：

  Based on 'click chemistry', the new convergent synthesis to a variety of saccharide-linked 2,6-pyridylene ethynylene 'ethynylpyridine' foldamers was developed. Ethynylpyridine 6-, 9-, and 12-meric blocks were linked with 1,7-octadiyne linker block by Sonogashira reaction, and joined with azido group-introduced glucoside, galactoside, and mannoside templates by Huisgen reaction. The resulting saccharide-linked ethynylpyridine foldamers exhibited typical circular dichroism to indicate the formation of a helical structure by intramolecular hydrogen bonds. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.02.069