(S)-2-hydroxy-butyric acid amide | 1113-58-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (S)-2-hydroxy-butyric acid amide
• 英文别名: (S)-2-Hydroxy-buttersaeure-amid；(s)-2-Hydroxybutanamide；(2S)-2-hydroxybutanamide
• CAS: 1113-58-2
• 化学式: C₄H₉NO₂
• 分子量: 103.121
• InChiKey: UUXHICUVBOTXQS-VKHMYHEASA-N

物化性质

• 熔点：
  105 °C
• 沸点：
  124-130 °C(Press: 1 Torr)
• 密度：
  1.105±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  7
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2924199090

反应信息

• 作为反应物：
  描述：

  (S)-2-hydroxy-butyric acid amide 在 lithium aluminium tetrahydride 、 乙醚 作用下， 生成 (S)-1-氨基丁-2-醇
  参考文献：
  名称：

  Kjaer et al., Acta Chemica Scandinavica (1947), 1959, vol. 13, p. 144,148,149

  摘要：

  DOI：
• 作为产物：
  描述：

  (S)-2-羟基丁酸甲酯 在 氨 、 水 作用下， 生成 (S)-2-hydroxy-butyric acid amide
  参考文献：
  名称：

  Kjaer et al., Acta Chemica Scandinavica (1947), 1959, vol. 13, p. 144,148,149

  摘要：

  DOI：

文献信息

• Synthesis of Aliphatic (S)-α-Hydroxycarboxylic Amides using a One-Pot Bienzymatic Cascade of Immobilised Oxynitrilase and Nitrile Hydratase
  作者：Sander van Pelt、Fred van Rantwijk、Roger A. Sheldon

  DOI：10.1002/adsc.200800625

  日期：2009.2

  Abstractmagnified imageA one‐pot bienzymatic cascade combining a hydroxynitrile lyase (Manihot esculenta, E.C. 4.1.2.10) and a nitrile hydratase (Nitriliruptor alkaliphilus, E.C. 4.2.1.84) for the synthesis of enantiopure aliphatic α‐hydroxycarboxylic amides from aldehydes is described. Both enzymes were immobilised as cross‐linked enzyme aggregates (CLEAs). Stability tests show that the nitrile hydratase CLEAs are sensitive to water‐immiscible organic solvents as well as to aldehydes and hydrogen cyanide (HCN), but are remarkably stable and show useful activity in acidic aqueous environments of pH 4–5. The cascade reactions are consequently carried out by using a portionwise feed of HCN and moderate concentrations of aldehyde in acidic aqueous buffer to suppress the uncatalysed hydrocyanation background reaction. After optimisation, this method was used to synthesise five different kinds of aliphatic α‐hydroxycarboxylic amides from the corresponding aldehydes with good yields and with enantiomeric purities comparable to those obtained for the α‐hydroxynitriles in the microaqueous hydrocyanation using hydroxynitrile lyase and an excess of HCN.
• Kjaer et al., Acta Chemica Scandinavica (1947), 1959, vol. 13, p. 144,148,149
  作者：Kjaer et al.

  DOI：——

  日期：——