| 1028041-76-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1028041-76-0
• 化学式: C₅₂H₆₂O₆SSi₂
• 分子量: 871.298
• InChiKey: MIQSZUXVLURCES-WKQGZCOFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.56
• 重原子数：
  61.0
• 可旋转键数：
  16.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  82.06
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  在 三乙基硼氢化锂 作用下， 以 四氢呋喃 为溶剂， 以75%的产率得到
  参考文献：
  名称：

  A Potential Route to Neuroprostanes and Isoprostanes: Preparation of the Four Enantiomerically Pure Diastereomers of 13-F_4t-NeuroP

  摘要：

  We report a potential synthetic route to the isoprostanes and the neuroprostanes that could allow ready access to each of the enantiomerically pure diastereomers of the several regioisomers of these important human metabolites. The key transformation in the synthesis is' a highly diastereoselective thermal intramolecular ene reaction. A critical observation is that the four enantiomerically pure diastereomers of an intermediate acetylenic ester are easily separated from one another. Each of these four has been carried on to a different enantiomerically pure diastereomer of 13-F(4t)-neuroprostane.

  DOI：

  10.1021/jo702600v
• 作为产物：
  描述：

  (S,E)-1-((1S,2R,3R,5S)-3,5-bis((tert-butyldiphenylsilyl)oxy)-2-(2-hydroxyethyl)cyclopentyl)hex-1-en-5-yn-3-ol 、 对甲苯磺酰氯 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以72%的产率得到
  参考文献：
  名称：

  A Potential Route to Neuroprostanes and Isoprostanes: Preparation of the Four Enantiomerically Pure Diastereomers of 13-F_4t-NeuroP

  摘要：

  We report a potential synthetic route to the isoprostanes and the neuroprostanes that could allow ready access to each of the enantiomerically pure diastereomers of the several regioisomers of these important human metabolites. The key transformation in the synthesis is' a highly diastereoselective thermal intramolecular ene reaction. A critical observation is that the four enantiomerically pure diastereomers of an intermediate acetylenic ester are easily separated from one another. Each of these four has been carried on to a different enantiomerically pure diastereomer of 13-F(4t)-neuroprostane.

  DOI：

  10.1021/jo702600v