Author, as appears in the article.: Carbó, J. ; Royes, J. ; Ni, S. ; Farré, A. ; La Cassia, E. ; Cuenca, A. B. ; Maseras, F. ; Fernández, E.
Department: Química Física i Inorgànica
URV's Author/s: CARBÓ MARTIN, JORGE JUAN; Royes, J. ; Ni, S. ; Farré, A. ; La Cassia, E. ; Cuenca, A. B. ; Maseras, F. ; FERNÁNDEZ GUTIÉRREZ, MARIA ELENA
Keywords: DFT study borylative cyclization spiroheterocyclic structures
Abstract: The synthesis of novel spiroheterocyclic structures with a pendant methylene boronate substituent has been accomplished to promote further functionalization. A Cu-catalyzed borylative ring closing C-C coupling of an alkenyl halide is the key step towards the synthesis of [m.n]-spirocycles (m,n = 3¿5). Computational studies on the mechanism reproduced all the experimental trends and explain the enhanced reactivity of systems leading to strained smaller rings. The optimized protocol also gives access to dispirocycle scaffolds, fully characterized by X-ray diffraction.
Research group: Química Quàntica Organometàl.lics i Catàlisi Homogènia
Thematic Areas: Chemistry Química Química
licence for use: https://creativecommons.org/licenses/by/3.0/es/
ISSN: 2155-5435
Author identifier: 0000-0002-3945-6721; 0000-0001-6129-7344; ; ; ; ; ; 0000-0001-9025-1791
Record's date: 2018-03-08
Last page: 2838
Journal volume: 8
Papper version: info:eu-repo/semantics/acceptedVersion
Link to the original source: https://pubs.acs.org/doi/abs/10.1021/acscatal.8b00257
Funding program: altres; Severo Ochoa Excellence Accreditation 2014¿2018 ; SEV-2013-0319 plan; Excelencia; CTQ2017-87792-R plan; Excelencia; CTQ2016-80328-P
Licence document URL: https://repositori.urv.cat/ca/proteccio-de-dades/
Article's DOI: 10.1021/acscatal.8b00257
Entity: Universitat Rovira i Virgili
Journal publication year: 2018
First page: 2833
Publication Type: Article Artículo Article
Repositori URV