Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
9590797 | Journal of Molecular Structure: THEOCHEM | 2005 | 11 Pages |
Abstract
During the investigation of the microwave synthesis of compounds related to benzodiazepines by Howard and co-workers, another group of compounds was isolated. First believed to be bicyclic amidines, these compounds were later found to be 4-quinazolinones. In this work, the potential energy surface of the precursor to the observed 4-quinazolinone is explored. The most stable arrangement is found to be a linear conformation of the side chain with the amide group in the Z conformation. Using this structure as the starting point, the reaction pathways for the intramolecular cyclization to form either the 4-quinazolinone or the bicyclic amidine are characterized.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Christopher Knight, M.C. Milletti,