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dc.contributor.authorWang, Chengming
dc.contributor.authorMaity, Bholanath
dc.contributor.authorCavallo, Luigi
dc.contributor.authorRueping, Magnus
dc.date.accessioned2018-05-15T05:25:52Z
dc.date.available2018-05-15T05:25:52Z
dc.date.issued2018-05-08
dc.identifier.citationWang C, Maity B, Cavallo L, Rueping M (2018) Manganese Catalyzed Regioselective C–H Alkylation: Experiment and Computation. Organic Letters. Available: http://dx.doi.org/10.1021/acs.orglett.8b01179.
dc.identifier.issn1523-7060
dc.identifier.issn1523-7052
dc.identifier.pmid29738250
dc.identifier.doi10.1021/acs.orglett.8b01179
dc.identifier.urihttp://hdl.handle.net/10754/627876
dc.description.abstractA new efficient manganese-catalyzed selective C2-alkylation of indoles via carbenoid insertion has been achieved. The newly developed C-H functionalization protocol provides access to diverse products and shows good functional group tolerance. Mechanistic and computational studies support the formation of a Mn(CO)3 acetate complex as the catalytically active species.
dc.description.sponsorshipB.M. and L.C. acknowledge King Abdullah University of Science and Technology (KAUST) for support and the KAUST Supercomputing Laboratory for providing computational resources of the supercomputer Shaheen II
dc.publisherAmerican Chemical Society (ACS)
dc.relation.urlhttps://doi.org/10.1021/acs.orglett.8b01179
dc.rightsThis document is the Accepted Manuscript version of a Published Work that appeared in final form in Organic Letters, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.orglett.8b01179.
dc.titleManganese Catalyzed Regioselective C–H Alkylation: Experiment and Computation
dc.typeArticle
dc.contributor.departmentChemical Science Program
dc.contributor.departmentKAUST Catalysis Center (KCC)
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalOrganic Letters
dc.eprint.versionPost-print
dc.contributor.institutionInstitute of Organic Chemistry, RWTH Aachen University, Landoltweg 1, 52074 Aachen, Germany
kaust.personMaity, Bholanath
kaust.personCavallo, Luigi
kaust.personRueping, Magnus
dc.date.published-online2018-05-08
dc.date.published-print2018-05-18


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