A novel computational approach to the estimation of steric parameters III. Extension to aliphatic amines and application to the adrenergic blocking activity of β-haloalkylamines

Tetrahedron Letters

Volumn 37, Issue 26, 1996, Pages 4617-4620

  Baxter, Sarah J ^a   Jenkins, H Donald B ^a   Samuel, Christopher J ^a  

^a UNIVERSITY OF WARWICK   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ALIPHATIC AMINE; HALOAMINE; HALOOLEFIN;

ADRENERGIC RECEPTOR BLOCKING; ARTICLE; LINEAR ENERGY TRANSFER; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

EID: 0030600153     PISSN: 00404039     EISSN: None     Source Type: Journal    
DOI: 10.1016/0040-4039(96)00891-X     Document Type: Article

References (17)

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12. 11. Taft, R. W. In Steric Effects in Organic Chemistry; Newman, M. S. Ed.; Wiley,; New York, 1955; pp. 556-675
13. H is not an appropriate measure of the electronic effect of the benzyl group.
14. a values of aliphatic amines do not show a simple dependence on electronic effects. See, for example, Aue, D. H.; Webb, H. M.; Bowers, M. T. J. Am. Chem. Soc. 1972, 94, 4726-4728.
15. 10 on the grounds that they code for steric effects. Not surprisingly, there was a good correlation between Σσ* and our & values (r = 0.96) and this led to a colinearity problem when data were fitted to equation 3, modified in this way.
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