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Theoretical reaction indices for dibenz[ a,h ]acridine
Author(s) -
Soriano David S.,
Draeger Jon A.
Publication year - 1990
Publication title -
journal of heterocyclic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.321
H-Index - 59
eISSN - 1943-5193
pISSN - 0022-152X
DOI - 10.1002/jhet.5570270310
Subject(s) - chemistry , acridine , reactivity (psychology) , ring (chemistry) , regioselectivity , epoxide , computational chemistry , stereochemistry , diol , molecular orbital , medicinal chemistry , organic chemistry , molecule , pathology , catalysis , medicine , alternative medicine
Huckel molecular orbital calculations and application of Seybold‐Smith reactivity theory suggest that the Bay‐Region diol epoxide derived from the 8,9,10,11‐benzo ring of dibenz[ a,h ]acridine ( 1 ) is the same in reactivity as that of the 1,2,3,4‐ring in agreement with experimental findings. The calculations dispute an earlier claim of regioselective reactivity at the 8,9,10,11‐benzo ring.