Literature DB >> 11375031

A QSRR treatment of solvent effects on the decarboxylation of 6-nitrobenzisoxazole-3-carboxylates employing molecular descriptors.

A R Katritzky1, S Perumal, R Petrukhin.   

Abstract

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.

Entities:  

Year:  2001        PMID: 11375031     DOI: 10.1021/jo0011843

Source DB:  PubMed          Journal:  J Org Chem        ISSN: 0022-3263            Impact factor:   4.354


  1 in total

1.  Quantum-Mechanical QSPR Models for Polymerization Volume Change of Epoxides and Methacrylates Based on Mercury Dilatometry Results.

Authors:  Matthew D Miller; Andrew J Holder; Kathleen V Kilway; Gregory J Giese; Jason E Finley; Deanna M Travis; Benjamin T Iwai; J David Eick
Journal:  Polymer (Guildf)       Date:  2006-12-08       Impact factor: 4.430

  1 in total

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