DABCO catalyzed [4+2] annulations of Morita-Baylis-Hillman carbonates with isocyanates.

Published in: Chemical communications (Cambridge, England) (2021)

A highly concise method for 1,4-diazabicyclo[2.2.2]octane (DABCO) catalyzed [4+2] annulations of o-amino-acylation of aryl MBH carbonates with isocyanates has been developed. For the first time, MBH carbonates served as 1,4-dipoles, providing functionalized 3,4-dihydroquinazolinones in mild conditions with good to excellent yields. The density functional theory calculations of the mechanism supports our hypothesis.

Keyphrases

density functional theory
molecular dynamics
room temperature
quantum dots
molecularly imprinted
molecular dynamics simulations
mass spectrometry
monte carlo