![Author ORCID: We display the ORCID iD icon alongside authors names on our website to acknowledge that the ORCiD has been authenticated when entered by the user. To view the users ORCiD record click the icon. [opens in a new tab]](https://chemrxiv.org/engage/assets/public/chemrxiv/images/logos/orcid.png)
Abstract
An new overall lower energy pathway for the amine-catalysed
Morita-Baylis-Hillman reaction is proposed from computations at the M06-2X/6-311++G(d,p)
level. The pathway involves proton-transfer from the
ammonium ion to the alkoxide formed from the aldol reaction through a seven-membered
ring transition state (TS) structure followed by highly exothermic Hofmann elimination through a five-membered ring
TS structure to form the product and also release the catalyst to carry on with
the process all over again.
Supplementary materials
Title
SI
Description
Actions
