Domingo, L.R.; Sáez Cases, José Antonio; Joule, J.A.; Rhyman, L.; Ramasami, P.(American Chemical Society, 2013-02-15)
The reaction between 1,5,6-trimethylpyrazinium-3-olate and methyl methacrylate (MMA) yielding a lactone-lactam has been studied using the DFT method at the B3LYP/6-31G(d) level. It is concluded that formation of the ...
Bentabed-Ababsa, G.; Hamza-Reguig, S.; Derdour, A.; Domingo, L.R.; Sáez Cases, José Antonio; Roisnel, T.; Dorcet, V.; Nassar, E.; Mongin, F.(Royal Society of Chemistry, 2012)
[EN] The [3 + 2] cycloaddition reaction between carbonyl ylides generated from epoxides and alkynes (phenylacetylene, methyl propiolate, methyl but-2-ynoate and methyl 3-phenylpropiolate) to give substituted 2,5-dihydrofurans ...
Domingo, L.R.; Sáez Cases, José Antonio(American Chemical Society, 2011-01-21)
[EN] The nonpolar [3+2] cycloaddition (32CA) reaction of the carbonyl ylide (CY) 23 with tetramethylethylene (TME) 24 has been studied with DFT methods at the B3LYP/6-31G* level. This cycloaddition reaction, which has a ...