A NOVEL COMPUTATIONAL APPROACH TO THE ESTIMATION OF STERIC PARAMETERS.2. EXTENSION TO THIAZOLES

Authors
JENKINS HDB SAMUEL CJ STAFFORD JE
Citation
Hdb. Jenkins et al., A NOVEL COMPUTATIONAL APPROACH TO THE ESTIMATION OF STERIC PARAMETERS.2. EXTENSION TO THIAZOLES, Tetrahedron letters, 36(34), 1995, pp. 6159-6162
Citations number
15
Categorie Soggetti
Chemistry Inorganic & Nuclear
Journal title
Tetrahedron letters → ACNP
ISSN journal
00404039
Volume
36
Issue
34
Year of publication
1995
Pages
6159 - 6162
Database
ISI
SICI code
0040-4039(1995)36:34<6159:ANCATT>2.0.ZU;2-0
Abstract
We have extended our new purely computational approach to the estimati on of steric parameters, s, intended for QSAR studies, to the consider ation of thiazoles, we have combined data for hindered 2- and 4-substi tuted thiazoles and 2-substituted pyridines to correlate kinetic data for the Menschutkin reaction of all three groups in a single LFER and we have offered an interpretation of the nature of these parameters wh ich permits this success.