jo0011843_si_001.pdf (51.95 kB)
A QSRR Treatment of Solvent Effects on the Decarboxylation of 6-Nitrobenzisoxazole-3-carboxylates Employing Molecular Descriptors
journal contribution
posted on 2001-05-10, 00:00 authored by Alan R. Katritzky, Subbu Perumal, Ruslan PetrukhinA quantitative structure−reactivity relationship (QSRR) study of the decarboxylation rates of
6-nitrobenzisoxazole-3-carboxylic acid (Kemp, D. S.; Paul, K. G. J. Am. Chem. Soc. 1975, 97, 7305).
employing the CODESSA program correlates the effect of 24 solvents with theoretical descriptors
to provide a straightforward interpretation of these solvent effects in terms of molecular parameters.