tert-Butyl-{(3aR,4S,6S,7aR)-2,2-dimethyl-6-[2-methyl-2-((2S,3S,4R,5R,6S)-3,4,5-tris-benzyloxy-6-methyl-tetrahydro-pyran-2-yloxy)-propoxymethyl]-hexahydro-benzo[1,3]dioxol-4-yloxy}-diphenyl-silane | 198469-46-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: tert-Butyl-{(3aR,4S,6S,7aR)-2,2-dimethyl-6-[2-methyl-2-((2S,3S,4R,5R,6S)-3,4,5-tris-benzyloxy-6-methyl-tetrahydro-pyran-2-yloxy)-propoxymethyl]-hexahydro-benzo[1,3]dioxol-4-yloxy}-diphenyl-silane
• CAS: 198469-46-4
• 化学式: C₅₇H₇₂O₉Si
• 分子量: 929.279
• InChiKey: QHWLOSSGOKTIGP-BOGNAOGNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.17
• 重原子数：
  67.0
• 可旋转键数：
  19.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  83.07
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  tert-Butyl-{(3aR,4S,6S,7aR)-2,2-dimethyl-6-[2-methyl-2-((2S,3S,4R,5R,6S)-3,4,5-tris-benzyloxy-6-methyl-tetrahydro-pyran-2-yloxy)-propoxymethyl]-hexahydro-benzo[1,3]dioxol-4-yloxy}-diphenyl-silane 在 溶剂黄146 作用下， 反应 2.0h， 以86%的产率得到
  参考文献：
  名称：

  Design and synthesis of sialyl Lex mimetics based on carbocyclic scaffolds derived from (−) quinic acid

  摘要：

  The synthesis of sialyl Lewis(x) mimetic anologs in which the D-glucosamine, D-galactose, and sialic acid residues are replaced individually with appropriate glycomimetics is described. A computational model for predicting bioactive conformations was tested. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10077-4
• 作为产物：
  描述：

  methyl (3aR,7S,7aS)-7-hydroxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate 在 palladium on activated charcoal lithium aluminium tetrahydride 、 氢气 、 silver trifluoromethanesulfonate 、 sodium hydride 、 臭氧 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 23.0h， 生成 tert-Butyl-{(3aR,4S,6S,7aR)-2,2-dimethyl-6-[2-methyl-2-((2S,3S,4R,5R,6S)-3,4,5-tris-benzyloxy-6-methyl-tetrahydro-pyran-2-yloxy)-propoxymethyl]-hexahydro-benzo[1,3]dioxol-4-yloxy}-diphenyl-silane
  参考文献：
  名称：

  Design and synthesis of sialyl Lex mimetics based on carbocyclic scaffolds derived from (−) quinic acid

  摘要：

  The synthesis of sialyl Lewis(x) mimetic anologs in which the D-glucosamine, D-galactose, and sialic acid residues are replaced individually with appropriate glycomimetics is described. A computational model for predicting bioactive conformations was tested. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10077-4