(S)-2-chloro-4-fluoromandelic acid

• 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: (S)-2-chloro-4-fluoromandelic acid
• 英文别名: (2S)-2-(2-chloro-4-fluorophenyl)-2-hydroxyacetic acid
• 化学式: C₈H₆ClFO₃
• 分子量: 204.585
• InChiKey: GSYDQXPFWGJBQG-ZETCQYMHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  在 盐酸 、 水 作用下， 反应 2.0h， 生成 (S)-2-chloro-4-fluoromandelic acid
  参考文献：
  名称：

  Solid Phase Behavior in the Chiral Systems of Various 2-Hydroxy-2-phenylacetic Acid (Mandelic Acid) Derivatives

  摘要：

  The solid phase behavior of a series of monosubstituted F-, Cl-, Br-, I-, and CH3- and two 2,4-halogen-disubstituted 2-hydroxy-2-phenylacetic acid (mandelic acid) derivatives was investigated. The study includes detailed information about melting temperature, melting enthalpy, Xray diffraction data, as well as selected binary phase diagrams of the respective chiral systems. Aside from the known metastable metastable conglomerates was found.

  DOI：

  10.1021/je500845d

文献信息

• Solid Phase Behavior in the Chiral Systems of Various 2-Hydroxy-2-phenylacetic Acid (Mandelic Acid) Derivatives
  作者：Jan von Langermann、Erik Temmel、Andreas Seidel-Morgenstern、Heike Lorenz

  DOI：10.1021/je500845d

  日期：2015.3.12

  The solid phase behavior of a series of monosubstituted F-, Cl-, Br-, I-, and CH3- and two 2,4-halogen-disubstituted 2-hydroxy-2-phenylacetic acid (mandelic acid) derivatives was investigated. The study includes detailed information about melting temperature, melting enthalpy, Xray diffraction data, as well as selected binary phase diagrams of the respective chiral systems. Aside from the known metastable metastable conglomerates was found.