2,3-dihydroxypropyl 4-bromobenzoate | 27913-71-9

• 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: 2,3-dihydroxypropyl 4-bromobenzoate
• 英文别名: 1-(4-Brom-benzoyl)-glycerin；4-bromo-benzoic acid-(2,3-dihydroxy-propyl ester)；4-Brom-benzoesaeure-(2,3-dihydroxy-propylester)；Glycerin-α-(4-brom-benzoat)
• CAS: 27913-71-9
• 化学式: C₁₀H₁₁BrO₄
• 分子量: 275.099
• InChiKey: IQUIXDAEZQWEKG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-bromo-benzoic acid-(β,β'-dihydroxy-isopropyl ester) 生成 2,3-dihydroxypropyl 4-bromobenzoate
  参考文献：
  名称：

  The Relative Stability of Aromatic and Aliphatic Monoglycerides

  摘要：

  DOI：

  10.1021/ja01279a052

文献信息

• Transition metal-free oxidative esterification of benzylic alcohols in aqueous medium
  作者：Supravat Samanta、Venkatanarayana Pappula、Milan Dinda、Subbarayappa Adimurthy

  DOI：10.1039/c4ob01524j

  日期：——

  Oxidative esterification of benzylic alcohols with a catalytic amount of HBr-H2O2 in aqueous medium under mild conditions is reported with a wide range of substrate scope for both benzylic and aliphatic alcohols. The conditions are also suitable for selective mono-esterification of ethylene glycol and glycerol. With catalytic amounts of HBr (20 mol%) and H2O2, the generation of reactive intermediate species BrOH has been ascertained by UV-visible spectra.

  在温和条件下，通过在水相中使用少量HBr-H2O2的催化氧化酯化反应，报道了苄醇和脂肪醇的广泛底物范围。该条件也适用于乙二醇和甘油的选择性单酯化反应。使用催化量的HBr（20 mol%）和 ，通过紫外-可见光谱确定了活性中间体BrOH的生成。
• Synthesis of α-monoglycerides of aromatic acids
  作者：A. F. Artamonov、F. S. Nigmatullina、M. T. Aldabergenova、B. Zh. Dzhiembaev

  DOI：10.1007/bf02282504

  日期：1999.7

  The synthesis of alpha-monoglycerides of aromatic acids has been performed by the transesterification of the methyl esters of the corresponding acids with glycerol. The structures of the compounds obtained have been confirmed by their IR, UV, and H-1 and C-13 NMR spectra.
• Hibbert; Carter, Journal of the American Chemical Society, 1929, vol. 51, p. 1605,1609
  作者：Hibbert、Carter

  DOI：——

  日期：——