(2S,2aR,2bR)-2-[(R)-1-(tert-Butyl-dimethyl-silanyloxy)-ethyl]-1-oxo-2,2a,2b,3,4,5-hexahydro-1H-6a-aza-cyclobuta[a]pentalene-6-carboxylic acid allyl ester | 175880-81-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: (2S,2aR,2bR)-2-[(R)-1-(tert-Butyl-dimethyl-silanyloxy)-ethyl]-1-oxo-2,2a,2b,3,4,5-hexahydro-1H-6a-aza-cyclobuta[a]pentalene-6-carboxylic acid allyl ester
• CAS: 175880-81-6
• 化学式: C₂₁H₃₃NO₄Si
• 分子量: 391.583
• InChiKey: HHLBKWICSIQHOO-MUIFIZLQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.02
• 重原子数：
  27.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  55.84
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (2S,2aR,2bR)-2-[(R)-1-(tert-Butyl-dimethyl-silanyloxy)-ethyl]-1-oxo-2,2a,2b,3,4,5-hexahydro-1H-6a-aza-cyclobuta[a]pentalene-6-carboxylic acid allyl ester 在 四丁基氟化铵 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 以25%的产率得到(2S,2aR,2bR)-2-((R)-1-Hydroxy-ethyl)-1-oxo-2,2a,2b,3,4,5-hexahydro-1H-6a-aza-cyclobuta[a]pentalene-6-carboxylic acid allyl ester
  参考文献：
  名称：

  Synthesis and biological activity of novel tricyclic β-lactams

  摘要：

  The synthesis and the preliminary data on microbiological activity of some tricyclic beta-lactam derivatives (4), analogues of synthetic ''trinems'', is described. Compound 14, key intermediate in the synthesis of 18, was stereoselectively obtained from its unsubstituted analogue, 12b, in 4 steps through enolphosphate 13.

  DOI：

  10.1016/0960-894x(96)00061-3
• 作为产物：
  描述：

  以 甲苯 为溶剂， 以58%的产率得到(2S,2aR,2bR)-2-[(R)-1-(tert-Butyl-dimethyl-silanyloxy)-ethyl]-1-oxo-2,2a,2b,3,4,5-hexahydro-1H-6a-aza-cyclobuta[a]pentalene-6-carboxylic acid allyl ester
  参考文献：
  名称：

  Synthesis and biological activity of novel tricyclic β-lactams

  摘要：

  The synthesis and the preliminary data on microbiological activity of some tricyclic beta-lactam derivatives (4), analogues of synthetic ''trinems'', is described. Compound 14, key intermediate in the synthesis of 18, was stereoselectively obtained from its unsubstituted analogue, 12b, in 4 steps through enolphosphate 13.

  DOI：

  10.1016/0960-894x(96)00061-3