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                    Synthesis and theoretical investigation of some new 4-substituted flavylium salts
                
                                    
                
                
                    Published:
01 November 2016
by MDPI
in The 20th International Electronic Conference on Synthetic Organic Chemistry
session Computational Chemistry
                
                                    
                
                
                    Abstract: 
                                    Synthetic flavylium salts possess the same basic structure as anthocyanins and their color and physical-chemical properties are notably dependent on the nature and position of the functional groups attached to the skeleton. Influence of position C-4 is very dominant in the stabilization of these molecules and the presence of substituent at that position is highly desirable for a food colorant because it would be stable over a wide range of pH values. Flavylium salts substituted at 4-position with bulky 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.
                        Keywords: flavylium salts, synthetic dyes, food colorants, DFT, conformational analysis
                    
                
                
                
                 
            


 
        
    
    
         
    
    
         
    
    
         
    
    
         
    
 
                                