THE FIRST ANALYSIS OF THE STERIC CONTROL OF THE 6-EXO FREE-RADICAL CYCLIZATION OF ACYCLIC SUGAR-DERIVATIVES - MM3 TRANSITION-STATE MODELING

The MM2-transition state modelling methodology was applied to the radi cal cyclization of acyclic sugar derivatives under the MM3 force field . Computational results help to quantitatively explain experimental da ta, and suggest that cyclizations are mostly controlled by steric inte ractions, whereas stereoelectronic effects have a low effect, but do t une the final products ratio. (C) 1998 Elsevier Science B.V, All right s reserved.