| 1373441-26-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• CAS: 1373441-26-9
• 化学式: C₁₈H₃₃N₃O₂
• 分子量: 323.479
• InChiKey: GKJNWYPMJAAIKS-JFIYKMOQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.57
• 重原子数：
  23.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  39.52
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  甲醇 、 在 N,N-二异丙基乙胺盐酸盐 作用下， 生成 (4S)-4-异丙基-2-甲氧基-3-((R)-2-甲基-1-(1-甲基-1H-咪唑-2-基)丙基)恶唑烷
  参考文献：
  名称：

  Site-Selective Catalysis: Toward a Regiodivergent Resolution of 1,2-Diols

  摘要：

  This paper demonstrates that the secondary hydroxyl can be functionalized in preference to the primary hydroxyl of a 1,2-diol. The site selectivity is achieved by using an enantioselective organic catalyst that is able to bond to the diol reversibly and covalently. The reaction has been parlayed into a divergent kinetic resolution on a racemic mixture, providing access to highly enantioenriched secondary-protected 1,2-diols in a single synthetic step.

  DOI：

  10.1021/ja3027086
• 作为产物：
  描述：

  (4S)-4-异丙基-2-甲氧基-3-((R)-2-甲基-1-(1-甲基-1H-咪唑-2-基)丙基)恶唑烷 、 正丁醇 以 氘代苯 为溶剂， 生成
  参考文献：
  名称：

  Site-Selective Catalysis: Toward a Regiodivergent Resolution of 1,2-Diols

  摘要：

  This paper demonstrates that the secondary hydroxyl can be functionalized in preference to the primary hydroxyl of a 1,2-diol. The site selectivity is achieved by using an enantioselective organic catalyst that is able to bond to the diol reversibly and covalently. The reaction has been parlayed into a divergent kinetic resolution on a racemic mixture, providing access to highly enantioenriched secondary-protected 1,2-diols in a single synthetic step.

  DOI：

  10.1021/ja3027086