title: About the conformations of alpha,beta-diunsaturated ketones.
abstract: Substituted 1-(cyclohexenyl)-3-phenylpropen-1-ones, 1-(2-furyl)-3-phenylpropen-1-ones, and 1-(2-thienyl)-3-phenylpropen-1-ones, ketones with 1,4-pentadien-3-one structure, prefer in solution, and at room temperature, according to 1H NMR and IR investigations the s-trans/s-cis conformation. For some compounds the participation of other conformers in the equilibrium could be demonstrated. These results were obtained by a qualitative study of 25 derivatives in different solvents, and comparison with results from MM+, PM3, AM1 or MMX calculations.
authors.affiliation: Department of Pharmaceutical/Medicinal Chemistry, Institute of Pharmacy, Ernst-Moritz-Arndt-University, Greifswald, Germany.
authors.forename: F
authors.initials: F
authors.lastname: Am Ali
authors.forename: A
authors.initials: A
authors.lastname: Karwot
authors.forename: M
authors.initials: M
authors.lastname: Schleuder
authors.forename: H H
authors.initials: HH
authors.lastname: Otro
mesh_terms: D007659:Ketones / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D008968:Molecular Conformation; D012997:Solvents; D013055:Spectrophotometry, Infrared
chemical_list: D007659:Ketones; D012997:Solvents