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

被引：2

作者：

Baxter, SJ ^{[1
]}

Jenkins, HDB ^{[1
]}

Samuel, CJ ^{[1
]}

机构：

[1] UNIV WARWICK,DEPT CHEM,COVENTRY CV4 7AL,W MIDLANDS,ENGLAND

来源：

TETRAHEDRON LETTERS | 1996年 / 37卷 / 26期

关键词：

D O I：

10.1016/0040-4039(96)00891-X

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

We have extended our new purely computational approach to the estimation of steric parameters, &, intended for QSAR studies, to the consideration of aliphatic amines and correlated kinetic data for the Menschutkin reaction of 26 amines with six alkyl iodides in LFERs. We have also used our calculated steric factors in QSARs to correlate the adrenergic blocking activity of beta-haloalkylamines. Copyright (C) 1996 Elsevier Science Ltd

引用

页码：4617 / 4620

页数：4

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