New di-( -chloroethyl)-amides of some acids derived from 2-mercaptobenzoxazole were
prepared by reaction of the corresponding pivalic mixed anhydrides with di-( -chloroethyl)-amine. A
study regarding the optimization of the chemical reactions was made for the case of di-( -chloroethyl)-
amines. The quantum chemical analysis by Spartan’14 was made in order to establish the most stable
configuration of the ground electronic states for the obtained chemical structures and some physicochemical
parameters of N-mustards reported in this paper. Mercaptobenzoxazoles substituted in the
side chain with the cytotoxic group show antitumor activity and they inhibit Ehrlich Ascites in an
appreciable proportion compared to the drug I.O.B.-82, as our studies evidenced