(2R)-2-methoxycarbonyl-2-phenylbutanoic acid | 88254-02-8

• 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: (2R)-2-methoxycarbonyl-2-phenylbutanoic acid
• CAS: 88254-02-8
• 化学式: C₁₂H₁₄O₄
• 分子量: 222.241
• InChiKey: PZKVSGUZRFZFAP-GFCCVEGCSA-N

物化性质

• 沸点：
  346.1±30.0 °C(Predicted)
• 密度：
  1.186±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2R)-2-methoxycarbonyl-2-phenylbutanoic acid 在 甲醇 、 sodium tetrahydroborate 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 2.25h， 生成 2-苯基丁酸甲酯
  参考文献：
  名称：

  Asymmetric construction of benzylic quaternary carbons from chiral malonates: Formal synthesis of both (−)- and (+)-aminoglutethimides AG and analogues

  摘要：

  From a single chiron (R)-(+)-5, available with high enantiomeric excess (97%) by enzymatic hydrolysis (PLE acetonic powder) of a malonate, were prepared convenient precursors of aminoglutethimides (-)-AG-1 and (+)-AG-1. This versatile method also allows preparation of the b-hydroxy ester (R)-9 and its enantiomer (S)-9 as well as the glutethimides (S)-4 and (R)-4 and other analogues. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0957-4166(96)00122-x
• 作为产物：
  描述：

  dimethyl 2-ethyl-2-phenylmalonate 在 sodium hydroxide 作用下， 以75%的产率得到(2R)-2-methoxycarbonyl-2-phenylbutanoic acid
  参考文献：
  名称：

  Asymmetric construction of benzylic quaternary carbons from chiral malonates: Formal synthesis of both (−)- and (+)-aminoglutethimides AG and analogues

  摘要：

  From a single chiron (R)-(+)-5, available with high enantiomeric excess (97%) by enzymatic hydrolysis (PLE acetonic powder) of a malonate, were prepared convenient precursors of aminoglutethimides (-)-AG-1 and (+)-AG-1. This versatile method also allows preparation of the b-hydroxy ester (R)-9 and its enantiomer (S)-9 as well as the glutethimides (S)-4 and (R)-4 and other analogues. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0957-4166(96)00122-x

文献信息

• SCHNELDER, M.;ENGEL, N.;BOENSMANN, H., ANGEW. CHEM., 1984, 96, N 1, 54-55
  作者：SCHNELDER, M.、ENGEL, N.、BOENSMANN, H.

  DOI：——

  日期：——
• Asymmetric construction of benzylic quaternary carbons from chiral malonates: Formal synthesis of both (−)- and (+)-aminoglutethimides AG and analogues
  作者：Antoine Fadel、Sebastien Garcia-Argote

  DOI：10.1016/0957-4166(96)00122-x

  日期：1996.4

  From a single chiron (R)-(+)-5, available with high enantiomeric excess (97%) by enzymatic hydrolysis (PLE acetonic powder) of a malonate, were prepared convenient precursors of aminoglutethimides (-)-AG-1 and (+)-AG-1. This versatile method also allows preparation of the b-hydroxy ester (R)-9 and its enantiomer (S)-9 as well as the glutethimides (S)-4 and (R)-4 and other analogues. Copyright (C) 1996 Elsevier Science Ltd