Synthesis and theoretical investigation of some new 4-substituted flavylium salts. (15th August 2017)

• Record Type: Journal Article
• Authors: Dekić, Milan; Kolašinac, Rejhana; Radulović, Niko; Šmit, Biljana; Amić, Dragan; Molčanov, Krešimir; Milenković, Dejan; Marković, Zoran
• Is Part Of: Food chemistry. Volume 229(2017)
• Page Start: 688
• Page End: 694
• Publication Date: 2017-08-15
• Subjects: 4-Substituted flavylium salts -- Chalcones -- Food colorants -- Synthetic dyes -- DFT -- Conformational analysis; Food -- Analysis -- Periodicals; Food -- Composition -- Periodicals; 664
• DOI: 10.1016/j.foodchem.2017.02.139
• Languages: English
• ISSNs: 0308-8146

Abstract

Highlights: A short library of novel 4-substituted flavylium salts has been synthesized. Compounds were characterized by spectroscopic means and crystallographic analysis. A computational DFT-M06-2X structural analysis has been performed. Abstract: Flavylium salts substituted at 4-position with hydroxyphenyl substituents were synthesized by acidic condensation according to a slightly modified procedure described by Robinson and Walker. Their thermodynamic properties and conformational analysis have been studied at DFT level.