[(3aS,4S,5S,8R,8aR)-8-hydroxy-5-methoxy-2,2-dimethyl-3a,4,5,7,8,8a-hexahydro-[1,3]dioxolo[4,5-d]oxepin-4-yl] acetate | 1117805-30-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(3aS,4S,5S,8R,8aR)-8-hydroxy-5-methoxy-2,2-dimethyl-3a,4,5,7,8,8a-hexahydro-[1,3]dioxolo[4,5-d]oxepin-4-yl] acetate
• CAS: 1117805-30-7
• 化学式: C₁₂H₂₀O₇
• 分子量: 276.287
• InChiKey: BJWWREIRSUJZCC-UVOCVTCTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  83.45
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  [(3aS,4S,5S,8R,8aR)-8-hydroxy-5-methoxy-2,2-dimethyl-3a,4,5,7,8,8a-hexahydro-[1,3]dioxolo[4,5-d]oxepin-4-yl] acetate 、 [(2R,3S,4S,5R,6R)-4,5,6-tris(phenylmethoxy)-2-phenylsulfanyloxepan-3-yl] acetate 在 N-碘代丁二酰亚胺 、 silver trifluoromethanesulfonate 作用下， 以 二氯甲烷 为溶剂， 以63%的产率得到(3aS,4S,5S,8R,8aR)-8-(((2R,3S,4S,5R,6R)-3-acetoxy-4,5,6-tris(benzyloxy)oxepan-2-yl)oxy)-5-methoxy-2,2-dimethylhexahydro-[1,3]dioxolo[4,5-d]oxepin-4-yl acetate
  参考文献：
  名称：

  1,5-α-d-Mannoseptanosides, Ring-Size Isomers That Are Impervious to α-Mannosidase-Catalyzed Hydrolysis

  摘要：

  1,5-D-Mannoseptanosyl di- and trisaccharide ring-size isomers of the corresponding mannopyranosyl oligosaccharides have been prepared. Remarkably, these compounds show no inhibition of the alpha-mannosidase-catalyzed hydrolysis of p-nitrophenyl-alpha-D-mannopyranoside.

  DOI：

  10.1021/ol8028065
• 作为产物：
  描述：

  (3aS,4S,5S,8R,8aS)-8-((tert-butyldimethylsilyl)oxy)-5-methoxy-2,2-dimethylhexahydro-[1,3]dioxolo[4,5-d]oxepin-4-yl acetate 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以64%的产率得到[(3aS,4S,5S,8R,8aR)-8-hydroxy-5-methoxy-2,2-dimethyl-3a,4,5,7,8,8a-hexahydro-[1,3]dioxolo[4,5-d]oxepin-4-yl] acetate
  参考文献：
  名称：

  1,5-α-d-Mannoseptanosides, Ring-Size Isomers That Are Impervious to α-Mannosidase-Catalyzed Hydrolysis

  摘要：

  1,5-D-Mannoseptanosyl di- and trisaccharide ring-size isomers of the corresponding mannopyranosyl oligosaccharides have been prepared. Remarkably, these compounds show no inhibition of the alpha-mannosidase-catalyzed hydrolysis of p-nitrophenyl-alpha-D-mannopyranoside.

  DOI：

  10.1021/ol8028065

文献信息

• [EN] COMPOUNDS, INTERMEDIATES, AND METHODS OF PREPARING THE SAME<br/>[FR] COMPOSÉS, INTERMÉDIAIRES ET LEURS PROCÉDÉS DE PRÉPARATION
  申请人：UNIV EMORY

  公开号：WO2010078396A3

  公开（公告）日：2010-10-28