Using hyperpolarised NMR and DFT to rationalise the unexpected hydrogenation of quinazoline to 3,4-dihydroquinazoline

PHIP and SABRE hyperpolarized NMR methods are used to follow the unexpected metal-catalysed hydrogenation of quinazoline (Qu) to 3,4-dihydroquinazoline as the sole product. A solution of [IrCl(IMes)(COD)] in dichloromethane reacts with H(2) and Qu to form [IrCl(H)(2)(IMes)(Qu)(2)] (2). The addition...

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Detalles Bibliográficos
Autores principales: Richards, Josh E., Hooper, Alexander J. J., Bayfield, Oliver W., Cockett, Martin C. R., Dear, Gordon J., Holmes, A. Jonathon, John, Richard O., Mewis, Ryan E., Pridmore, Natalie, Roberts, Andy D., Whitwood, Adrian C., Duckett, Simon B.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Royal Society of Chemistry 2018
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6136267/
https://www.ncbi.nlm.nih.gov/pubmed/30152480
http://dx.doi.org/10.1039/c8cc04826f

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