Abstract
The electronic and structural characteristics of intermediates, transition states and the products are calculated for the trans-silylation reaction of N-trimethylsilyl-N-methylacetamide 1a and its tautomer О-trimethylsilyl-N-methylacetimidate 1b with silanes ClCH2SiRR'Cl 2 (R = R′ = Me) and 3 (R = H, R′ = Ph). According to theoretical calculations and FTIR monitoring, the reaction of 1 with silane 3 in CDCl3 solution follows two pathways: the kinetically controlled formation of the final product 8a via the sequence MeN = C(Me)OSiMe31b → MeC(O)N(Me)SiH(Ph)CH2Cl ▪ with all steps fast, and the thermodynamically controlled route MeC(O)N(Me)SiMe31a → MeN = C(Me)OSiH(Ph)CH2Cl 6b → 8a with fast first step and slow second step.
Sign-in/Register to access full text options 
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
