A NOVEL COMPUTATIONAL APPROACH TO THE ESTIMATION OF STERIC PARAMETERS.3. EXTENSION TO ALIPHATIC-AMINES AND APPLICATION TO THE ADRENERGIC BLOCKING ACTIVITY OF BETA-HALOALKYLAMINES

Authors
BAXTER SJ JENKINS HDB SAMUEL CJ
Citation
Sj. Baxter et al., A NOVEL COMPUTATIONAL APPROACH TO THE ESTIMATION OF STERIC PARAMETERS.3. EXTENSION TO ALIPHATIC-AMINES AND APPLICATION TO THE ADRENERGIC BLOCKING ACTIVITY OF BETA-HALOALKYLAMINES, Tetrahedron letters, 37(26), 1996, pp. 4617-4620
Citations number
15
Categorie Soggetti
Chemistry Inorganic & Nuclear
Journal title
Tetrahedron letters → ACNP
ISSN journal
00404039
Volume
37
Issue
26
Year of publication
1996
Pages
4617 - 4620
Database
ISI
SICI code
0040-4039(1996)37:26<4617:ANCATT>2.0.ZU;2-6
Abstract
We have extended our new purely computational approach to the estimati on of steric parameters, &, intended for QSAR studies, to the consider ation of aliphatic amines and correlated kinetic data for the Menschut kin reaction of 26 amines with six alkyl iodides in LFERs. We have als o used our calculated steric factors in QSARs to correlate the adrener gic blocking activity of beta-haloalkylamines. Copyright (C) 1996 Else vier Science Ltd