(2R,3R,4S,5S,6R)-2-[20-[6-[2-[6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-2-yl]ethynyl]pyridin-2-yl]oxyicosoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 1374551-84-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2R,3R,4S,5S,6R)-2-[20-[6-[2-[6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-2-yl]ethynyl]pyridin-2-yl]oxyicosoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• CAS: 1374551-84-4
• 化学式: C₅₃H₈₆N₂O₁₁Si
• 分子量: 955.358
• InChiKey: VETARSFAUSKHGD-KAODANNTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.55
• 重原子数：
  67
• 可旋转键数：
  39
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  171
• 氢给体数：
  4
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  (2R,3R,4S,5S,6R)-2-[20-[6-[2-[6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-2-yl]ethynyl]pyridin-2-yl]oxyicosoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 在 四丁基氟化铵 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 0.5h， 以96%的产率得到(2R,3R,4S,5S,6R)-2-[20-[6-[2-[6-ethynyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-2-yl]ethynyl]pyridin-2-yl]oxyicosoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  参考文献：
  名称：

  Concentration- and Time-Dependent Eccentric Changes in Circular Dichroism of Saccharide-Linked Ethynylpyridine Oligomer with Copper(II) Ions

  摘要：

  We studied the preparation and circular dichroism (CD) behavior of 2,6-pyridylene ethynylene octameric oligomer linked to a beta-D-glucoside moiety with a C20-alkylene chain. The addition of Cu(OTf)(2) salt led to a remarkable enhancement of the first CD band of the oligomer, and an unexpected concentration and time dependency were observed. For example, when 1.0 X 10(-3) M of Cu(OTf)(2) was added to a 1,2-dichloroethane solution of the oligomer (5.0 X 10(-4) M, unit concentration), the CD band appeared in the positive at first and gradually inverted into the negative with time.

  DOI：

  10.1021/jo300735j
• 作为产物：
  描述：

  三甘醇单甲醚 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 二(三叔丁基膦)钯 、 sodium hydride 、 二异丙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲苯 、 mineral oil 为溶剂， 反应 24.5h， 生成 (2R,3R,4S,5S,6R)-2-[20-[6-[2-[6-[2-[tert-butyl(dimethyl)silyl]ethynyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-2-yl]ethynyl]pyridin-2-yl]oxyicosoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  参考文献：
  名称：

  Concentration- and Time-Dependent Eccentric Changes in Circular Dichroism of Saccharide-Linked Ethynylpyridine Oligomer with Copper(II) Ions

  摘要：

  We studied the preparation and circular dichroism (CD) behavior of 2,6-pyridylene ethynylene octameric oligomer linked to a beta-D-glucoside moiety with a C20-alkylene chain. The addition of Cu(OTf)(2) salt led to a remarkable enhancement of the first CD band of the oligomer, and an unexpected concentration and time dependency were observed. For example, when 1.0 X 10(-3) M of Cu(OTf)(2) was added to a 1,2-dichloroethane solution of the oligomer (5.0 X 10(-4) M, unit concentration), the CD band appeared in the positive at first and gradually inverted into the negative with time.

  DOI：

  10.1021/jo300735j