Vivancos Ureña, ÁngelaVattier Lagarrigue, María FlorenciaLópez Serrano, JoaquínPaneque Sosa, MargaritaLópez Poveda, ManuelÁlvarez González, Eleuterio2017-11-202017-11-202015Vivancos Ureña, Á., Vattier Lagarrigue, M.F., López Serrano, J., Paneque Sosa, M., López Poveda, M. y Álvarez González, E. (2015). A Diels–Alder Reaction Triggered by a [4 + 3] Metallacycloaddition. Journal of the American Chemical Society, 137 (12), 4074-4077. https://doi.org/10.1021/jacs.5b01532.0002-7863 (impreso)1520-5126 (electrónico)http://hdl.handle.net/11441/66280The TpMe2Ir(III) complex 1-OH2 (TpMe2 = hydrotris(3,5-dimethylpyrazolyl)borate), which contains a labile molecule of water and an iridium-bonded alkenyl moiety (−C(R)═C(R)–(R=CO2Me)) as part of a benzo-annulated five-membered iridacycle, reacts readily with the conjugated dienes butadiene and 2,3-dimethylbutadiene to afford the corresponding Diels–Alder products. Experimental and DFT studies are in accordance with an initial [4 + 3] cyclometalation reaction between the diene and the five-coordinated 16-electron organometallic fragment 1 (generated from 1-OH2 by facile water dissociation). The reaction can be extended to a related TpIr(III) complex (Tp = hydrotris(pyrazolyl)borate) that also features a labile ligand (i.e., 2-THF).application/pdfengAttribution-NonCommercial-NoDerivatives 4.0 Internacionalhttp://creativecommons.org/licenses/by-nc-nd/4.0/info:eu-repo/semantics/articleinfo:eu-repo/semantics/openAccesshttps://doi.org/10.1021/jacs.5b01532