1-phenylethyl 2-(6-methoxynaphthalen-2-yl)propionate | 960210-90-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-phenylethyl 2-(6-methoxynaphthalen-2-yl)propionate
• 英文别名: 1-phenylethyl 2-(6-methoxynaphthalene)propionate；[(1S)-1-phenylethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
• CAS: 960210-90-6
• 化学式: C₂₂H₂₂O₃
• 分子量: 334.415
• InChiKey: HAOPKFNFFIKPQP-HOTGVXAUSA-N

物化性质

• 熔点：
  94-96 °C
• 沸点：
  463.7±25.0 °C(Predicted)
• 密度：
  1.131±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-phenylethyl 2-(6-methoxynaphthalen-2-yl)propionate 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 以74%的产率得到萘普索
  参考文献：
  名称：

  Parallel Kinetic Resolution of 1-Phenylethanol Using Quasi-Enantiomeric Active Esters

  摘要：

  本研究讨论了使用等摩尔组合的准对映五氟苯基酯并行动力学解析外消旋 1-苯基乙醇的过程。非对映选择性水平极高（>88% de），从而以良好的产率获得了可分离的准对映异构酯。

  DOI：

  10.1055/s-2008-1032068
• 作为产物：
  描述：

  (+)-pentafluorophenyl 2-(6-methoxy-naphthalen-2-yl)propionate 、 (S)-(-)-1-苯乙醇 生成 1-phenylethyl 2-(6-methoxynaphthalen-2-yl)propionate
  参考文献：
  名称：

  Probing the parallel kinetic resolution of 1-phenylethanol using quasi-enantiomeric oxazolidinone adducts

  摘要：

  The parallel kinetic resolution of racemic 1-phenylethanol using an equimolar combination of quasi-enantiomeric oxazolidinones is discussed. The levels of diastereoselectivity were high leading to separable quasi-enantiomeric esters in good yield. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2007.09.015

文献信息

• Parallel kinetic resolution of racemic 1-phenylethanol using quasi-enantiomeric combinations of carboxylic acids mediated by N,N′-dicyclohexylcarbodiimide and 3,5-lutidine
  作者：Najla Al Shaye、Andrew N. Boa、Elliot Coulbeck、Jason Eames

  DOI：10.1016/j.tetlet.2008.05.036

  日期：2008.7

  The parallel kinetic resolution of racemic 1-phenylethanol using an equimolar combination of quasienantiomeric 2-arylpropionic and butanoic acids mediated by a N,N'-dicyclohexylcarbodiimide (DCC)/3,5-lutidine coupling is discussed. The levels of diastereoselectivity were high leading to separable quasi-enantiomeric esters in good yield. (C) 2008 Elsevier Ltd. All rights reserved.
• Parallel Kinetic Resolution of 1-Phenylethanol Using <i>Quasi</i>-Enantiomeric Active Esters
  作者：Jason Eames、Elliot Coulbeck

  DOI：10.1055/s-2008-1032068

  日期：2008.2

  The parallel kinetic resolution of racemic 1-phenylethanol using an equimolar combination of quasi-enantiomeric pentafluorophenyl esters is discussed. The levels of diastereoselectivity were excellent (>88% de) leading to separable quasi-enantiomeric esters in good yields.

  本研究讨论了使用等摩尔组合的准对映五氟苯基酯并行动力学解析外消旋 1-苯基乙醇的过程。非对映选择性水平极高（>88% de），从而以良好的产率获得了可分离的准对映异构酯。
• Probing the parallel kinetic resolution of 1-phenylethanol using quasi-enantiomeric oxazolidinone adducts
  作者：Elliot Coulbeck、Jason Eames

  DOI：10.1016/j.tetasy.2007.09.015

  日期：2007.9

  The parallel kinetic resolution of racemic 1-phenylethanol using an equimolar combination of quasi-enantiomeric oxazolidinones is discussed. The levels of diastereoselectivity were high leading to separable quasi-enantiomeric esters in good yield. (c) 2007 Elsevier Ltd. All rights reserved.