1-{3-[(2S)-oxiran-2-ylmethoxy]phenyl}ethanone | 250778-98-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-{3-[(2S)-oxiran-2-ylmethoxy]phenyl}ethanone
• 英文别名: 1-[3-[[(2S)-oxiran-2-yl]methoxy]phenyl]ethanone
• CAS: 250778-98-4
• 化学式: C₁₁H₁₂O₃
• 分子量: 192.214
• InChiKey: KGRFDQPMJNJEQB-LLVKDONJSA-N

物化性质

• 沸点：
  309.7±12.0 °C(Predicted)
• 密度：
  1.162±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-{3-[(2S)-oxiran-2-ylmethoxy]phenyl}ethanone 、 间甲酚 在 chiral polymer-supported Co(salen) complex 高氟叔丁醇 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 生成 1-[3-[(2S)-2-hydroxy-3-(3-methylphenoxy)propoxy]phenyl]ethanone
  参考文献：
  名称：

  Enantioselective Parallel Synthesis Using Polymer-Supported Chiral Co(salen) Complexes

  摘要：

  [GRAPHICS]The kinetic resolution of epoxides with phenols catalyzed by a polymer supported Co(salen) complex is applied to the first enantioselective catalytic synthesis of parallel libraries, The corresponding 1-aryloxy-2-alcohols are obtained in high yield, purity, and enantiomeric excess. Further elaboration with diversity elements provides highly efficient access to important classes of pharmacologically active compounds.

  DOI：

  10.1021/ol990920q
• 作为产物：
  描述：

  3-羟基苯乙酮 、 环氧溴丙烷 在 chiral polymer-supported Co(salen) complex 高氟叔丁醇 、 氢氧化钾 作用下， 以 乙醚 为溶剂， 反应 9.0h， 生成 1-{3-[(2S)-oxiran-2-ylmethoxy]phenyl}ethanone
  参考文献：
  名称：

  Enantioselective Parallel Synthesis Using Polymer-Supported Chiral Co(salen) Complexes

  摘要：

  [GRAPHICS]The kinetic resolution of epoxides with phenols catalyzed by a polymer supported Co(salen) complex is applied to the first enantioselective catalytic synthesis of parallel libraries, The corresponding 1-aryloxy-2-alcohols are obtained in high yield, purity, and enantiomeric excess. Further elaboration with diversity elements provides highly efficient access to important classes of pharmacologically active compounds.

  DOI：

  10.1021/ol990920q

文献信息

• US6720439B1
  申请人：——

  公开号：US6720439B1

  公开（公告）日：2004-04-13
• Enantioselective Parallel Synthesis Using Polymer-Supported Chiral Co(salen) Complexes
  作者：Stefan Peukert、Eric N. Jacobsen

  DOI：10.1021/ol990920q

  日期：1999.10.1

  [GRAPHICS]The kinetic resolution of epoxides with phenols catalyzed by a polymer supported Co(salen) complex is applied to the first enantioselective catalytic synthesis of parallel libraries, The corresponding 1-aryloxy-2-alcohols are obtained in high yield, purity, and enantiomeric excess. Further elaboration with diversity elements provides highly efficient access to important classes of pharmacologically active compounds.