1-phenylethyl 2-phenylbutanoate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-phenylethyl 2-phenylbutanoate
• 英文别名: 1-phenylethyl 2-phenylbutyrate；[(1S)-1-phenylethyl] (2S)-2-phenylbutanoate
• 化学式: C₁₈H₂₀O₂
• 分子量: 268.356
• InChiKey: VZMJOYOCNMQMOZ-YOEHRIQHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  苏合香醇 、 2-苯基丁酸 在 3,5-二甲基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 生成 1-phenylethyl 2-phenylbutanoate 、 1-phenylethyl 2-phenylbutanoate
  参考文献：
  名称：

  Parallel kinetic resolution of racemic 1-phenylethanol using quasi-enantiomeric combinations of carboxylic acids mediated by N,N′-dicyclohexylcarbodiimide and 3,5-lutidine

  摘要：

  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.

  DOI：

  10.1016/j.tetlet.2008.05.036

文献信息

• Resolution of secondary arylalkyl alcohols using pentafluorophenyl 2-phenylbutanoate and zinc chloride
  作者：Elliot Coulbeck、Jason Eames

  DOI：10.1016/j.tetlet.2009.05.046

  日期：2009.8

  The resolution of racemic secondary arylalkyl alcohols using pentafluorophenyl 2-phenylbutanoate and zinc chloride is discussed. The levels of enantiomeric recognition were high leading to enantiomerically enriched alcohols in good yield. (C) 2009 Elsevier Ltd. All rights reserved.
• 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.