Preparation,characterization and quantum chemistry calculation for modified chlorogenic acid

XIANG Zhinan; ZHAN Yu; NING Zhengxiang

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Preparation,characterization and quantum chemistry calculation for modified chlorogenic acid

更新时间：2025-12-10

- Preparation,characterization and quantum chemistry calculation for modified chlorogenic acid
- CIESC Journal Issue 6, Pages: 1541-1547(2007)
- 作者机构：
  
  华南理工大学轻工与食品学院
- 作者简介：
- 基金信息：
- DOI：
  CLC：
- Online First：05 June 2007，
  
  Published：05 June 2007
- 稿件说明：
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XIANG Zhinan, ZHAN Yu, NING Zhengxiang. Preparation,characterization and quantum chemistry calculation for modified chlorogenic acid[J]. CIESC Journal, 2007, (6): 1541-1547.
DOI：

XIANG Zhinan, ZHAN Yu, NING Zhengxiang. Preparation,characterization and quantum chemistry calculation for modified chlorogenic acid[J]. CIESC Journal, 2007, (6): 1541-1547. DOI：

摘要

绿原酸（CGA）是一种天然酚类抗氧化剂，已应用于医药保健、食品、日用化工等行业中。然而，其易溶于水难溶于油的特性使其应用受到了限制。本研究对CGA进行了分子修饰，即在非水相中，以三乙胺（TEA）为催化剂，对其进行月桂酰氯（LC）酰化，制备了脂溶性的绿原酸月桂酸酯（CGL）。探讨了原料配比、温度及反应时间对CGL收率的影响，得出制备CGL的最佳工艺条件为：以N

N-二甲基甲酰胺（DMF）作为溶解、稀释剂，n CGA∶n LC∶n TEA＝1∶1∶1.5，温度控制在35±1 ℃，反应时间8 h。在此条件下，可得到微黄色粉状固体产物绿原酸月桂酸酯，其产率为81.24 %。通过UV-Vis、IR、ESI –MS、1HNMR对CGL的结构进行了表征。同时，在理论上，采用量子化学计算的方法论证了该分子修饰的可行性和合理性。

Abstract

Chlorogenic acid (CGA) is a natural antioxidant

and nowadays it has been used in medicine

food processing and cosmetic industry.However

to a certain extent its application is restricted because it is only soluble in water but is lipo-insoluble.In this research

liposoluble chlorogenic laurate(CGL) was synthesized by acylation with lauroyl chloride (LC) in the presence of triethylamine (TEA) in non-water phase.It was found that the optimized synthesis conditions were as follows: with dimethylformamide (DMF) as the dissolution agent and thinner

n CGA∶n LC∶n TEA＝1∶1∶1.5

temperature(35±1)℃ and reaction time 8 h.Under these conditions a light yellowish powder was obtained and the yield of CGL was 81.24 %.The structure of CGL was characterized by UV-Vis

ESI-MS and H NMR. Theoretically

the method of quantum chemistry calculation was used to demonstrate the feasibility and rationality of molecular modification for CGA.Meanwhile

the result of the test of the use of CGL on Guangdong-type sausage showed that 0.05% of CGL could increase the antioxidant ability of the products.

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