乙基苯基丙二酸单甲酯 | 108516-37-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 乙基苯基丙二酸单甲酯
• 英文名称: monomethyl ethylphenylmalonate
• 英文别名: ethyl-phenyl-malonic acid monomethyl ester；Aethyl-phenyl-malonsaeure-monomethylester；Aethyl-phenyl-malonsaeure-mono-methylester；2-Methoxycarbonyl-2-phenylbutanoic acid
• CAS: 108516-37-6
• 化学式: C₁₂H₁₄O₄
• 分子量: 222.241
• InChiKey: PZKVSGUZRFZFAP-UHFFFAOYSA-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：

  乙基苯基丙二酸单甲酯 在 氯化亚砜 作用下， 生成 2-ethyl-2,N-diphenyl-malonamic acid methyl ester
  参考文献：
  名称：

  Preparation and Reactions of Acylals¹ of Disubstituted Malonic Acids

  摘要：

  DOI：

  10.1021/ja01551a044
• 作为产物：
  描述：

  苯丙二酸 在 正丁基锂 、 氯化亚砜 、 magnesium sulfate 作用下， 反应 10.0h， 生成 乙基苯基丙二酸单甲酯
  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

文献信息

• 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
• Preparation and Reactions of Acylals¹ of Disubstituted Malonic Acids
  作者：Paul J. Scheuer、Saul G. Cohen

  DOI：10.1021/ja01551a044

  日期：1958.9