5-(Pyridin-3-yl)-3,4-dihydro-2H-furan-1-ium (NNKFI): a computational study of its physico-chemical properties

Recent work on the diazonium ion metabolite of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNKDI) suggests that 5-(pyridin-3-yl)-3,4-dihydro-2H-furan-1-ium (NNKFI) may form from NNKDI via an intramolecular reaction. NNKDI is an important carcinogen whose role as an alkylating agent has received...

Full description

Bibliographic Details

Published in:	Royal Society Open Science
Main Authors:	Evan Millam, Christos Deligkaris, Edmir O. Wade
Format:	Article
Language:	English
Published:	The Royal Society 2024-09-01
Subjects:	5-(pyridin-3-yl)-3,4-dihydro-2H-furan-1-ium computational oxonium furanium properties alkylation
Online Access:	https://royalsocietypublishing.org/doi/10.1098/rsos.230975