Quantum mech anical stu dy on the mechanism of nucl eophilic su bstitutio n reaction o f Į-Chlorododecyl Carboxylate with t rimethylamin

The nucleophilic substitution reaction is among the most popula r approaches in organic chemistry. A nucleophilic substitution reaction was developed to s ynthesize the zwitterionic surfactan t using a renewable nat ural fatty a cid rather than a petroleum derivative as the raw material. The kinetics and m echanism of the nucle ophilic sub stitution reaction of Į- chlorododecyl carbo xylate wit h trimethyla mine were investigated in protic and dipolar aprotic solvents incl uding water, ethanol an d N, N-dimethyl formam ide[۱]. The rate quatio ns were de rived using initial rate s and the activation pa rameters in different s olvents were determined empirically and compared with each other to obtain im portant info rmation about the reaction mechanism [۱]. In t his work, th e mechanism of nucleophilic substitution reactio n of Į-Chlorododecyl Carboxyla te with trimethylamin has been studied u sing density function al methods.

کلیدواژه ها:

Nucleo philic substitution ، Me chanism ، a-Chlorododecyl carboxy late ، Density function al theory