Transition structures and energetics for the Cope rearrangement of cis-1,2-Divinylcyclobutane. (cas 16177-46-1) an ab initio study

Add time:07/20/2019    Source:sciencedirect.com

Transition structures and energetics for the Cope rearrangements of cis-1,2-divinylcyclobutane, obtained by RHF/6-31G* and MP2(full)/6-31G*//RHF/6-31G* calculations, are reported. Three transition structures (endo-boatlike, chairlike and exo-boatlike) have been located, giving rise to formation of cis,cis-, cis,trans- and trans,trans-1,5-cyclooctadienes, respectively. cis-1,2-divinylcyclobutane rearranges via an endo-boatlike transition structure and yields the corresponding cis,cis product with higher exothermicity. Formation of severely strained cis,trans- and trans,trans-1,5-cyclooctadienes from this rearrangement is also discussed.

We also recommend Trading Suppliers and Manufacturers of cis-1,2-Divinylcyclobutane. (cas 16177-46-1). Pls Click Website Link as below: cas 16177-46-1 suppliers

Prev:NICS evaluation for Cope rearrangements of cis-1,2-divinylcyclopropane and cis-1,2-divinylcyclobutane
Next:Darstellung von PdCl2-komplexen substituierter cis,cis-cycloocta-1,5-diene aussachtringen und den entsprechenden substituierten cis-1,2-Divinylcyclobutane. (cas 16177-46-1). cis,trans-zuordnung 3,4-,3,7- und 3,8-disubstituierter cis,cis-cycloocta-1,5-diene)