4-(6-((6-((6-((tert-butyldimethylsilyl)ethynyl)-4-(octyloxy)pyridin-2-yl)ethynyl)-4-(octyloxy)pyridin-2-yl)ethynyl)-4-(octyloxy)pyridin-2-yl)-2-methylbut-3-yn-2-ol | 1378991-16-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(6-((6-((6-((tert-butyldimethylsilyl)ethynyl)-4-(octyloxy)pyridin-2-yl)ethynyl)-4-(octyloxy)pyridin-2-yl)ethynyl)-4-(octyloxy)pyridin-2-yl)-2-methylbut-3-yn-2-ol
• CAS: 1378991-16-2
• 化学式: C₅₆H₇₉N₃O₄Si
• 分子量: 886.346
• InChiKey: PDRSKXUUFAXMRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.41
• 重原子数：
  64.0
• 可旋转键数：
  24.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  86.59
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  4-(6-((6-((6-((tert-butyldimethylsilyl)ethynyl)-4-(octyloxy)pyridin-2-yl)ethynyl)-4-(octyloxy)pyridin-2-yl)ethynyl)-4-(octyloxy)pyridin-2-yl)-2-methylbut-3-yn-2-ol 在 sodium hydroxide 作用下， 以 甲苯 为溶剂， 反应 0.58h， 以86%的产率得到2-((tert-butyldimethylsilyl)ethynyl)-6-((6-((6-ethynyl-4-(octyloxy)pyridin-2-yl)ethynyl)-4-(octyloxy)pyridin-2-yl)ethynyl)-4-(octyloxy)pyridine
  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：

  2,6-diiodo-4-(octyloxy)pyridine 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 14.41h， 生成 4-(6-((6-((6-((tert-butyldimethylsilyl)ethynyl)-4-(octyloxy)pyridin-2-yl)ethynyl)-4-(octyloxy)pyridin-2-yl)ethynyl)-4-(octyloxy)pyridin-2-yl)-2-methylbut-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