Author, as appears in the article.: Royes J; Ni S; Farré A; La Cascia E; Carbó JJ; Cuenca AB; Maseras F; Fernández E

Department: Química Física i Inorgànica

URV's Author/s: Carbó Martin, Jorge Juan / Fernández Gutiérrez, Maria Elena / ROYES BUISAN, JORDI

Keywords: Spiroheterocyclic structures Dft study Borylative cyclization

Abstract: © 2018 American Chemical Society. The synthesis of 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 toward 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.

Thematic Areas: Química Materiais Interdisciplinar General chemistry Engenharias ii Ciências agrárias i Chemistry, physical Chemistry (miscellaneous) Chemistry (all) Catalysis Astronomia / física

licence for use: https://creativecommons.org/licenses/by/3.0/es/

ISSN: 21555435

Author's mail: mariaelena.fernandez@urv.cat j.carbo@urv.cat

Author identifier: 0000-0001-9025-1791 0000-0002-3945-6721

Record's date: 2023-02-26

Papper version: info:eu-repo/semantics/acceptedVersion

Link to the original source: https://pubs.acs.org/doi/abs/10.1021/acscatal.8b00257

Licence document URL: http://repositori.urv.cat/ca/proteccio-de-dades/

Papper original source: Acs Catalysis. 8 (4): 2833-2838

APA: Royes J; Ni S; Farré A; La Cascia E; Carbó JJ; Cuenca AB; Maseras F; Fernández E (2018). Copper-Catalyzed Borylative Ring Closing C-C Coupling toward Spiro- and Dispiroheterocycles. Acs Catalysis, 8(4), 2833-2838. DOI: 10.1021/acscatal.8b00257

Article's DOI: 10.1021/acscatal.8b00257

Entity: Universitat Rovira i Virgili

Journal publication year: 2018

Publication Type: Journal Publications