Kinetics and mechanism of styrene hydroalkoxycarbonylation catalyzed by the complex PdCl2(Ph3P)2 in the presence of butanol

Article abstract of DOI:10.1007/BF02756067

The kinetics of styrene hydrobutoxycarbonylation catalyzed by the complex PdCl₂(Ph₃P)₂ in dioxane was studied using the single-factor experiment technique. The accumulation rates of the regioisomeric reaction products as empirical functions of CO pressure and concentrations of triphenylphosphine, styrene, and the catalyst were determined. The acyl complex (PhC₂H₄CO)PdCl(Ph₃P)₂ was isolated from the reaction mixture. The assumed intermediate of an alcoholate mechanism, the (BuOOC)PdCl(Ph₃P)₂ complex, was not formed by the reaction of PdCl₂(Ph₃P)₂ with butanol and CO. The data set corresponded to a hydride mechanism of styrene hydrocarboxylation that included three key intermediates HPdClL_2-n(CO)_n (n = 0-2). The kinetic scheme of the process was affected by a change in the solvation characteristics of the reaction medium due to the replacement of water by butanol.