A theoretical study on radical-based aminocarbonylation of aryl iodides

Takuji Kawamoto, Hiroshi Matsubara*, Takahide Fukuyama, Ilhyong Ryu

*Corresponding author for this work

    Research output: Contribution to journalArticlepeer-review

    4 Scopus citations

    Abstract

    Aminocarbonylation of aromatic iodides with CO and amines gives aromatic amides under photoirradiation conditions. DFT calculations predict that methylamine adds to benzoyl radical to give a zwitterionic radical, which would afford the product via two pathways: (a) an amine-assisted proton transfer followed by a single electron transfer reaction (SET) with iodobenzene or (b) complexation with iodobenzene and then the SET.

    Original languageEnglish
    Pages (from-to)1169-1171
    Number of pages3
    JournalChemistry Letters
    Volume47
    Issue number9
    DOIs
    StatePublished - Jan 2018

    Keywords

    • DFT calculation
    • Radical aminocarbonylation
    • Single electron transfer

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