ferulic acid oleyl alcohol ester | 1315508-88-3

• 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: ferulic acid oleyl alcohol ester
• 英文别名: oleyl ferulate；[(Z)-octadec-9-enyl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
• CAS: 1315508-88-3
• 化学式: C₂₈H₄₄O₄
• 分子量: 444.655
• InChiKey: KXDWMRGZZBQREZ-WXDYCJTCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.7
• 重原子数：
  32
• 可旋转键数：
  20
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  阿魏酸 、 油醇 在 Candida antarctica lipase 作用下， 以 异辛烷 为溶剂， 生成 ferulic acid oleyl alcohol ester
  参考文献：
  名称：

  Lipase-Catalyzed Esterification of Ferulic Acid with Oleyl Alcohol in Ionic Liquid/Isooctane Binary Systems

  摘要：

  Lipase-catalyzed synthesis of ferulic acid oleyl alcohol ester in an ionic liquid (IL)/isooctane system was investigated. Considerable bioconversion and volumetric productivity were achieved M inexpensive 1-hexyl-3-methylimidazolium hexafluorophosphate [Hmim][PF6]) and 1-methyl-3-octylimidazolium hexafluorophosphate ([Omim][PF6] mediated systems, and thus, the two types of ILs were selected for further optimization of variables. The results showed that, before reaching a maximum, the increase of ferulic acid concentration, temperature, or enzyme dosage led to an increase in volumetric productivity. Variations of the ratios of IL/isooctane and concentrations of Oleyl alcohol also profoundly affected the volumetric productivity. To a higher extent, [Hmim][PF6]/isooctane and [Omim][PF6]/isooctane show similar reaction behaviors. Under the optimized reaction conditions (60 degrees C, 150 mg of Novozym 435 and 100 mg of molecular sieves), up to 48.50 mg/mL productivity of oleyl feruleate could be achieved for the [Hmim][PF6]/isooctane (0.5 mL/1.5 mL) system with a substrate concentration of ferulic acid of 0.08 mmol/mL and oleyl alcohol of 0.32 mmol; while an optimum volumetric productivity of 26.92 mg/mL was obtained for the [Omim] [PF6]/isooctane (0.5 mL/1.5 mL) system under a similar reaction condition other than the substrate concentrations of ferulic acid at 0.05 mmol/mL and oleyl alcohol at 0.20 mmol.

  DOI：

  10.1021/jf104101z