A QSRR Treatment of Solvent Effects on the Decarboxylation of
6-Nitrobenzisoxazole-3-carboxylates Employing Molecular
Descriptors

Katritzky, Alan R.; Perumal, Subbu; Petrukhin, Ruslan

doi:10.1021/jo0011843.s001

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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 Petrukhin

A 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.