2-feruloylglycerol

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 2-feruloylglycerol
• 英文别名: 2-glyceryl ferulate；2-FG；1,3-dihydroxypropan-2-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
• 化学式: C₁₃H₁₆O₆
• 分子量: 268.266
• InChiKey: NAGSENZTVXJXSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.31
• 重原子数：
  19.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  96.22
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  阿魏酸乙酯 、 甘油 在 Novozym 435 作用下， 60.0 ℃ 、1.33 kPa 条件下， 反应 10.0h， 以97.2%的产率得到1-O-feruloyl glycerol
  参考文献：
  名称：

  Solvent-Free Enzymatic Preparation of Feruloylated Monoacylglycerols Optimized by Response Surface Methodology

  摘要：

  The ability of immobilized lipase B from Candida antarctica (Novozym 435) to catalyze the direct esterification of glyceryl ferulate (FG) and oleic acid for feruloylated monoacylglycerols (FMAG) preparation in a solvent-free system was investigated. Enzyme screening and the effect of glycerol on the initial reaction rate of esterification were also investigated. Response surface methodology (RSM) was used to optimize the effects of the reaction temperature (55-65 degrees C), the enzyme load (8-14%; relative to the weight of total substrates), oleic acid/(FG + glycerol) (6:1-9:1; w/w), and the reaction time (1-2 h) on the conversion of FG and yield of FMAG. Validation of the RSM model was verified by the good agreement between the experimental and the predicted values of FG conversion and FMAG yield. The optimum preparation conditions were as follows: temperature, 60 degrees C enzyme load, 8.2%; substrate ratio, 8.65:1 (oleic acid/(FG + glycerol), w/w); and reaction time, 1.8 h. Under these conditions, the conversion of FG and yield of FMAG are 96.7 +/- 1.0% and 87.6 +/- 1.2%, respectively.

  DOI：

  10.1021/jf0728911

文献信息

• Solvent-Free Enzymatic Preparation of Feruloylated Monoacylglycerols Optimized by Response Surface Methodology
  作者：Shang-De Sun、Liang Shan、Yuan-Fa Liu、Qing-Zhe Jin、Li-Xia Zhang、Xing-Guo Wang

  DOI：10.1021/jf0728911

  日期：2008.1.1

  The ability of immobilized lipase B from Candida antarctica (Novozym 435) to catalyze the direct esterification of glyceryl ferulate (FG) and oleic acid for feruloylated monoacylglycerols (FMAG) preparation in a solvent-free system was investigated. Enzyme screening and the effect of glycerol on the initial reaction rate of esterification were also investigated. Response surface methodology (RSM) was used to optimize the effects of the reaction temperature (55-65 degrees C), the enzyme load (8-14%; relative to the weight of total substrates), oleic acid/(FG + glycerol) (6:1-9:1; w/w), and the reaction time (1-2 h) on the conversion of FG and yield of FMAG. Validation of the RSM model was verified by the good agreement between the experimental and the predicted values of FG conversion and FMAG yield. The optimum preparation conditions were as follows: temperature, 60 degrees C enzyme load, 8.2%; substrate ratio, 8.65:1 (oleic acid/(FG + glycerol), w/w); and reaction time, 1.8 h. Under these conditions, the conversion of FG and yield of FMAG are 96.7 +/- 1.0% and 87.6 +/- 1.2%, respectively.