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An NMR study of the equilibria involved with benzotriazole, carbonyl compounds, and their adducts

1990; Royal Society of Chemistry; Issue: 6 Linguagem: Inglês

10.1039/p29900000921

2050-8239

Alan R. Katritzky, Subbu Perumal, G. Paul Savage,

Chemical Reaction Mechanisms

A 1H and 13C NMR study of the equilibrium mixtures of benzotriazole and several carbonyl compounds with their adducts, in [2H6]benzene and other solvents, affords the equilibrium constants for the reversible formation of N-1 (K1) and N-2 (K2) isomeric adducts. Thermodynamic parameters have been computed. Adduct formation is generally less predominant in sterically crowded cases. In general the N-1 isomer predominates over the N-2 isomer, however, with the sterically hindered 4,7-dimethylbenzotriazole this order is reversed.