Functionalization and Hydrogenation of Carbon Chains Derived from CO

DOI: 10.14469/hpc/10042 Metadata

Created: 2021-12-18 13:42

Last modified: 2022-01-09 14:10

Author: Maria Batuecas

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Co-author: Andrew White
Co-author: Mark Crimmin
Co-author: Richard Yuze Kong


Selective reactions that combine H2, CO and organic electrophiles (aldehyde, ketones, isocyanide) to form hydrogenated C3 and C4 carbon chains are reported. These reactions proceed by CO homologation mediated by [W(CO)6] and an alumi-num(I) reductant, followed by functionalization and hydrogenation of the chain ends. A combination of kinetics (rates, KIEs) and DFT calculations has been used to gain insight into a key step which involves hydrogenation of a metallocar-bene intermediate. These findings expand the extremely small scope of systems that combine H2 and CO to make well-defined products with complete control over chain length and functionality.

Associated DOIs

Current dataset ...DOIDescription
References 10.14469/hpc/10039 xyz coordinates
References 10.14469/hpc/10040 NMR Data
References 10.14469/hpc/10041 IR Data