Acetic acid (3S,6S,8S,8aS)-8-benzyloxy-3-(tert-butyl-diphenyl-silanyloxymethyl)-5-oxo-octahydro-indolizin-6-yl ester | 218792-68-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚里西啶
• 英文名称: Acetic acid (3S,6S,8S,8aS)-8-benzyloxy-3-(tert-butyl-diphenyl-silanyloxymethyl)-5-oxo-octahydro-indolizin-6-yl ester
• CAS: 218792-68-8
• 化学式: C₃₄H₄₁NO₅Si
• 分子量: 571.789
• InChiKey: JUBIEPJTQWBMNW-QJANCWQKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.84
• 重原子数：
  41.0
• 可旋转键数：
  9.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  65.07
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  Acetic acid (3S,6S,8S,8aS)-8-benzyloxy-3-(tert-butyl-diphenyl-silanyloxymethyl)-5-oxo-octahydro-indolizin-6-yl ester 在 吡啶 、 氢氟酸 作用下， 反应 4.0h， 以78%的产率得到Acetic acid (3S,6S,8S,8aS)-8-benzyloxy-3-hydroxymethyl-5-oxo-octahydro-indolizin-6-yl ester
  参考文献：
  名称：

  Exploration of β-turn scaffolding motifs as components of sialyl LeX mimetics and their relevance to P-selectin

  摘要：

  Monocyclic and bicyclic lactam units representing P-turn surrogates were incorporated into a sialyl Le(X) structure by replacement of the natural sugar components. I;ow micromolar activity was found in a new P-selectin binding assay.(C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00500-9
• 作为产物：
  描述：

  乙酸酐 、 (3S,6S,8S,8aS)-8-Benzyloxy-3-(tert-butyl-diphenyl-silanyloxymethyl)-6-hydroxy-hexahydro-indolizin-5-one 在 吡啶 作用下， 反应 1.0h， 以90%的产率得到Acetic acid (3S,6S,8S,8aS)-8-benzyloxy-3-(tert-butyl-diphenyl-silanyloxymethyl)-5-oxo-octahydro-indolizin-6-yl ester
  参考文献：
  名称：

  Exploration of β-turn scaffolding motifs as components of sialyl LeX mimetics and their relevance to P-selectin

  摘要：

  Monocyclic and bicyclic lactam units representing P-turn surrogates were incorporated into a sialyl Le(X) structure by replacement of the natural sugar components. I;ow micromolar activity was found in a new P-selectin binding assay.(C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00500-9