Theoretical studies of iron(iii)-catalyzed intramolecular C-H amination of azides
Dalton Transactions, ISSN: 1477-9226, Vol: 42, Issue: 40, Page: 14369-14373
2013
- 17Citations
- 9Captures
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Metrics Details
- Citations17
- Citation Indexes17
- CrossRef17
- 17
- Captures9
- Readers9
Article Description
Density functional theory calculations have been carried out to study the reaction mechanism of the [Fe(FTPP)Cl] catalyzed C-H amination reaction. The calculations show that the classical three-step mechanism for other metals (Ru, Rh, Ir and Zn), including N liberation, C-N bond formation and 1,2-hydrogen shift, does not fit the iron(iii)-catalyzed system. After N liberation, the favorable reaction pathway for the iron(iii)-catalyzed system is a 1,2-hydrogen shift preceding C-N bond formation, i.e., a H-abstraction/radical rebound mechanism. © 2013 The Royal Society of Chemistry.
Bibliographic Details
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84884687515&origin=inward; http://dx.doi.org/10.1039/c3dt51954f; http://www.ncbi.nlm.nih.gov/pubmed/24005880; https://xlink.rsc.org/?DOI=c3dt51954f; https://dx.doi.org/10.1039/c3dt51954f; https://pubs.rsc.org/en/content/articlelanding/2013/dt/c3dt51954f
Royal Society of Chemistry (RSC)
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