CONCLUSÕES

No presente trabalho, foi estudada a reação de substituição nucleofílica aromática entre DCQX e CysMe. Foi obtido dois produtos oriundos da reação o produto de monossubstituição pelo átomo de enxofre e o produto de ciclização intramolecular pelos átomos de nitrogênio, com 49% e 81% de rendimento respectivamente. Os produtos, foram adequadamente caracterizados RMN (1H e 13C) HRMS e IV. Estudos teóricos apontaram que o produto CysQX1 forma em condições mais suaves que o CysQX3 e o CysQX5, porém, o CysQX5 é o produto mais favorável termodinamicamente da reação, e que outros produtos de reação também podem existir no caminho de formação destes como o CysQX3 que não foi isolado na reação. Através dos cálculos foi constado que a formação do produto da reação CysQX5, pode passar por duas rotas distintas, sendo a rota que leva a formação com a substituição de um grupamento tiol após uma dissubstituição a mais favorável. Os cálculos dos estados de transição mostram que o caminho/mecanismo da formação do produto ciclizado oriundo da reação de DCQX e CysMe é cineticamente desfavorável mais termodinamicamente favorável. Ademais, trabalhos futuros com novas metodologias serão realizados na tentativa de se obter e caracterizar outros possíveis produtos oriundos da reação.

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