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Convenient synthesis,antimicrobial evaluation and molecular modeling of some novel quinoline derivatives
Authors:Wafaa S Hamama  Mona E Ibrahim  Aya A Gooda  Hanafi H Zoorob
Institution:1. Department of Chemistry, Faculty of Science, Mansoura University, Mansoura, Egyptwshamama53@gmail.com wshamama@yahoo.com;3. Department of Chemistry, Faculty of Science, Mansoura University, Mansoura, Egypt
Abstract:α, β-Unsaturated carbonyl compounds 2a, 2b, 3, and 4 were synthesized by the Knoevenagel condensation between 2-substituted quionoline-3-carboxaldehyde 1a and/or 1b with active methylene compounds. In addition, the synthesis of azlactone is achieved starting from 1a and N-acetylglycine. Synthesis of pyridine, pyrene, and pyrimidine derivatives 68 were accomplished via one-pot multicomponent reaction of 1b with acetyl acetone, malononitrile, and ammonium acetate; acetophenone, malononitrile, and NaOH; or acetyl acetone and urea in acidic medium. The new synthesized compounds showed good antimicrobial activities. The DFT calculations have been used to predict the electronic properties of the studied compounds.
Keywords:α" target="_blank">α  β-unsaturated carbonyl compounds" target="_blank">β-unsaturated carbonyl compounds  antimicrobial agent  gap energy  HOMO level  LUMO level  pyridine  pyrimidines  quinoline
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