1-{3-[2-羟基-3-(4-苯基-哌嗪-1-基)-丙氧基]-苯基}-乙酮 | 42585-59-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-{3-[2-羟基-3-(4-苯基-哌嗪-1-基)-丙氧基]-苯基}-乙酮
• 英文名称: 1-{3-[2-hydroxy-3-(4-phenyl-piperazin-1-yl)-propoxy]-phenyl}-ethanone
• 英文别名: 3'-((2-Hydroxy-3-(4-phenylpiperazinyl))propoxy)acetophenone；1-[3-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]ethanone
• CAS: 42585-59-1
• 化学式: C₂₁H₂₆N₂O₃
• 分子量: 354.449
• InChiKey: FDTSYVCHZCQUMG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  53
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-羟基苯乙酮 在 chiral polymer-supported Co(salen) complex 高氟叔丁醇 、 ytterbium(III) triflate 作用下， 以 二氯甲烷 为溶剂， 反应 25.0h， 生成 1-{3-[2-羟基-3-(4-苯基-哌嗪-1-基)-丙氧基]-苯基}-乙酮
  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

• 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.