Preparation and conformational analysis of severely hindered β-diketones. Dipole moment determinations and theoretical calculations.

✍ Scribed by M. Moreno-Man˜as; A. González; C. Jaime; M.E. Lloris; J. Marquet; A. Martínez; A.C. Siani; A. Vallribera; I. Hernández-Fuentes; M.F. Rey-Stolle; C. Salom

• Publisher: Elsevier Science
• Year: 1991
• Tongue: French
• Weight: 654 KB
• Volume: 47
• Category: Article
• ISSN: 0040-4020
• DOI: 10.1016/s0040-4020(01)86578-9

✦ Synopsis

Several p -diketones bearing bulb substituents at the intercarhonyl positions have been prepared by alkylation of the cobalt(I1) canplexes of the unsubstituted diketones. Agreement between experimental and calculated dipole moments is fairly good thus rendering Molecular Mechanics a safe tool for the conformational analysis of the title molecules. The most populated Conformations have been evaluated for nine P-diketones bearing l-and 2-adamantyl, E-butyl, cyclohe+, 1-phenylethyl and bsnxhydryl groups as well as two methyl groups and onemethylplus onel-adamantylgroups.