Kinetics and mechanism of a reaction of phenylacetylene with carbon monoxide and butanol in toluene catalyzed by a palladium(0) complex in the presence of trifluoroacetic acid and triphenylphosphine

The reaction of phenylacetylene with CO and n-butanol in toluene (363 K) ca talyzed by the Pd(dba)(2)/m(CF3COOH)/n(Ph3P) system (dba is dibenzylideneac etone; 2 less than or equal to m less than or equal to 8; 10 less than or e qual to n less than or equal to 30) is studied. The initial rate of the mai n product (butyl 2-phenylpropenoate) buildup is found to depend on the pres sure of CO and the concentrations of reactants and system components. The s tate of the catalyst under reaction conditions is studied in situ by IR spe ctroscopy. A kinetic model is developed based on the experimental results. This model corresponds to the mechanism that resembles the hydride mechanis m in the type of main intermediates in the catalytic cycle.