Regioselective Diels-Alder reaction of 2-phosphaindolizine with some 1,3-butadiene derivatives (RCHCHCHCH2, RÂ =Â F, Cl, CH3 and SiH3): A theoretical study

Density functional theory study on the regioselective Diels-Alder (DA) reactions of 1-methyl-3-(methoxycarbonyl)-2-phosphaindolizine with some 1,3-butadiene derivatives (RCHCHCHCH2, R = F, Cl, CH3 and SiH3) have been reported. We considering the position of R group in the obtained cycloadducts, two model DA reactions were studied, (R/P, 1, 2) and (R/P, 1, 5).