Investigating the chemical changes of chlorogenic acids during coffee brewing: conjugate addition of water to the olefinic moiety of chlorogenic acids and their quinides

J Agric Food Chem. 2012 Dec 12;60(49):12105-15. doi: 10.1021/jf3028599. Epub 2012 Nov 29.

Abstract

Coffee is one of the most popular and consumed beverages in the world and is associated with a series of benefits for human health. In this study we focus on the reactivity of chlorogenic acids, the most abundant secondary metabolites in coffee, during the coffee brewing process. We report on the hydroxylation of the chlorogenic acid cinnamoyl substituent by conjugate addition of water to form 3-hydroxydihydrocaffeic acid derivatives using a series of model compounds including monocaffeoyl and dicaffeoylquinic acids and quinic acid lactones. The regiochemistry of conjugate addition was established based on targeted tandem MS experiments. Following conjugate addition of water a reversible water elimination yielding cis-cinnamoyl derivatives accompanied by acyl migration products was observed in model systems. We also report the formation of all of these derivatives during the coffee brewing process.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Caffeic Acids / chemistry
  • Chlorogenic Acid / chemistry*
  • Coffee / chemistry*
  • Cooking / methods
  • Food Analysis / methods*
  • Food Handling / methods*
  • Hydroxylation
  • Quinic Acid / analogs & derivatives
  • Quinic Acid / chemistry
  • Spectrophotometry, Ultraviolet
  • Tandem Mass Spectrometry / methods
  • Water

Substances

  • Caffeic Acids
  • Coffee
  • caffeoylquinic acid
  • Quinic Acid
  • Water
  • Chlorogenic Acid