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

Article's DOI: 10.1021/acscatal.8b00257

Entity: Universitat Rovira i Virgili

Journal publication year: 2018

First page: 2833

Publication Type: Article Artículo Article