These are preliminary reports that have not been peer-reviewed. They should not be regarded as conclusive, guide clinical practice/health-related behavior, or be reported in news media as established information. For more information, please see our FAQs.
Preprints are manuscripts made publicly available before they have been submitted for formal peer review and publication. They might contain new research findings or data. Preprints can be a draft or final version of an author's research but must not have been accepted for publication at the time of submission.
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 Hofmannelimination 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.