High linear regioselectivity in the rhodium-catalyzed hydro (deuterio) formylation of 3, 4, 4-trimethylpent-1-ene: The role of β-hydride elimination

R Lazzaroni, R Settambolo, G Alagona…

Index: Lazzaroni, Raffaello; Settambolo, Roberta; Alagona, Giuliano; Ghio, Caterina Journal of Molecular Catalysis A: Chemical, 2012 , vol. 356, p. 1 - 13

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Citation Number: 3

Abstract

The regioselectivity in the hydroformylation reaction catalyzed by an unmodified Rh catalyst has been investigated for a number of α-methylsubstituted alk-1-enes (3-methylbut-1-ene MB1, 3-methylpent-1-ene MP1, 3, 4-dimethylpent-1-ene DMP1, and 3, 4, 4-trimethylpent-1- ene TMP1) experimentally (at 20° C and 100atm CO/H2 total pressure) and theoretically at the B3P86/6-31G* level with Rh described by effective core potentials in the LanL2DZ ...