title: 1H,13C 2D NMR and X-ray studies of the products of the reaction between dibenzylidencyclohexanone and 6-amino-1,3-dimethyl uracil.
abstract: The reaction of the 6-amino-1,3-dimethyl uracil with the dibenzylidencyclohexanone (1), provided three adducts whose structures result from nucleophilic attack yielding the monoadduct 3 and two isomeric bisadducts (4 and 5) in moderate yields (50-60%). The structures obtained in this study were elucidated with 2D high resolution NMR experiments, variable temperature NMR and X-ray crystallographic studies. In compound 3, the tricyclic skeleton is essentially planar and the cyclohexane ring addopts an envelope conformation. The structures 4 and 5 correspond to two isomeric spiro compounds.
authors.affiliation: Instituto de Qui;mica, Universidad Nacional Autónoma de México, Circuito Exterior, Ciudad Universitaria, Coyoacán D.F., 04510, México City, Mexico. maudiaz@servidor.unam.mx
authors.forename: E
authors.initials: E
authors.lastname: Díaz
authors.forename: A
authors.initials: A
authors.lastname: Guzmán
authors.forename: R A
authors.initials: RA
authors.lastname: Toscano
authors.forename: H
authors.initials: H
authors.lastname: Barrios
authors.forename: D
authors.initials: D
authors.lastname: Corona
authors.forename: A
authors.initials: A
authors.lastname: Fuentes
authors.forename: R
authors.initials: R
authors.lastname: Díaz
authors.forename: E C
authors.initials: EC
authors.lastname: Martinez Zuñiga
authors.forename: A
authors.initials: A
authors.lastname: Quintero
mesh_terms: D018360:Crystallography, X-Ray; D003512:Cyclohexanones / Q000737:chemistry*; D006860:Hydrogen Bonding; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D008956:Models, Chemical; D008962:Models, Theoretical; D011487:Protein Conformation; D014498:Uracil / Q000031:analogs & derivatives / Q000737:chemistry*; D014961:X-Ray Diffraction / Q000379:methods*
chemical_list: C479868:6-amino-1,3-dimethyl uracil; D003512:Cyclohexanones; D014498:Uracil; C036468:cyclohexanone