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Catalytic Methods for Sustainable Synthesis. A Merged Experimental and Computational Approach

Deliverables

Workshop 5

Training Activities-Workshop 5: The Application of Flow Chemistry in Industry. This WS will be organised in collaboration with AZ.

Workshop 2

Training Activities -Workshop 2: Introduction to computational drug design. This WS will be organised in collaboration with Evotec.

Final CATMEC network conference

Final CATMEC showcase and presentations

Workshop 6

Training Activities-Workshop 6: Careers Workshop

Outreach 3

Outreach Activities 3

Workshop 1

Training Activities -Workshop 1: Science Communication Course: Communicating Science to Non-Scientists.

Outreach 2

Outreach Activities 2

Outreach 1

Outreach Activities 1

Workshop 3

Training Activities -Workshop 3: Mini MBA: Introduction to business, financial accounting, marketing and strategy.

Workshop 4

Training Activities-Workshop 4: Innovation and Enterprise

Award of PhD degrees

Award of PhD degrees

Dissemination & Exploitation

Dissemination & Exploitation Publication of research. Portfolio of publications/patents describing methods for the synthesis and functionalisation of (hetero)aromatic compounds and methods for the stereoselective synthesis of functionalised ketones. Poster and oral presentations by fellows at conferences.

Summer School 1

Training Activities - Summer School 1: A Corbella: A workshop describing recent advances in organic chemistry. Poster presentations by ESRs at summer school.

Best practice recommendations

Best practice recommendation for PhD examination

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Publications

A Pd-Catalyzed [4 + 2] Annulation Approach to Fluorinated N-Heterocycles

Author(s): Víctor García-Vázquez, Larry Hoteite, Christopher P. Lakeland, David W. Watson, Joseph P. A. Harrity
Published in: Organic Letters, 23/7, 2021, Page(s) 2811-2815, ISSN 1523-7060
Publisher: American Chemical Society
DOI: 10.1021/acs.orglett.1c00752

Pyrimidin‐6‐yl Trifluoroborate Salts as Versatile Templates for Heterocycle Synthesis

Author(s): Joseph P.A. Harrity, David L. Cousins, Prisca Fricero, Kenji P. M. Kopf, Elliot J. McColl, Werngard Czechtizky, Yee Hwee Lim
Published in: Angewandte Chemie International Edition, 2021, ISSN 1433-7851
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/anie.202101297

Brønsted Base Catalyzed One‐Pot Synthesis of Stereodefined Six‐Member Carbocycles Featuring Transient Trienolates and a Key Intramolecular 1,6‐Addition

Author(s): Olatz Olaizola, Igor Iriarte, Giovanna Zanella, Enrique Gómez‐Bengoa, Iñaki Ganboa, Mikel Oiarbide, Claudio Palomo
Published in: Angewandte Chemie International Edition, 58/40, 2019, Page(s) 14250-14254, ISSN 1433-7851
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/anie.201908693

Manganese‐Catalyzed Multicomponent Synthesis of Tetrasubstituted Propargylamines: System Development and Theoretical Study

Author(s): Stavros P. Neofotistos, Nikolaos V. Tzouras, Martin Pauze, Enrique Gómez‐Bengoa, Georgios C. Vougioukalakis
Published in: Advanced Synthesis & Catalysis, 2020, ISSN 1615-4150
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/adsc.202000566

Unprecedented Multicomponent Organocatalytic Synthesis of Propargylic Esters via CO2 Activation

Author(s): Argyro T. Papastavrou Martin Pauze Prof. Dr. Enrique Gómez‐Bengoa Prof. Dr. Georgios C. Vougioukalakis
Published in: ChemCatChem, 11, 2019, Page(s) 1–9, ISSN 1867-3880
Publisher: Wiley - VCH Verlag GmbH & CO. KGaA
DOI: 10.1002/cctc.201900207

α‐Branched Ketone Dienolates: Base‐Catalyzed Generation and Regio‐ and Enantioselective Addition Reactions

Author(s): Iñaki Urruzuno, Odei Mugica, Giovanna Zanella, Silvia Vera, Enrique Gómez-Bengoa, Mikel Oiarbide, Claudio Palomo
Published in: Chemistry – A European Journal, 2019, ISSN 0947-6539
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/chem.201901694

Synthesis of Indenes by Tandem Gold(I)-Catalyzed Claisen Rearrangement/Hydroarylation Reaction of Propargyl Vinyl Ethers

Author(s): Antonia Rinaldi, Vittoria Langé, Enrique Gómez-Bengoa, Giovanna Zanella, Dina Scarpi, Ernesto G. Occhiato
Published in: The Journal of Organic Chemistry, 84/10, 2019, Page(s) 6298-6311, ISSN 0022-3263
Publisher: American Chemical Society
DOI: 10.1021/acs.joc.9b00646

An umpolung strategy to react catalytic enols with nucleophiles

Author(s): Amparo Sanz-Marco, Samuel Martinez-Erro, Martin Pauze, Enrique Gómez-Bengoa, Belén Martín-Matute
Published in: Nature Communications, 10/1, 2019, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-019-13175-5

Base-Catalyzed [1, n ]-Proton Shifts in Conjugated Polyenyl Alcohols and Ethers

Author(s): Nagaraju Molleti, Samuel Martinez-Erro, Alba Carretero Cerdán, Amparo Sanz-Marco, Enrique Gomez-Bengoa, Belén Martín-Matute
Published in: ACS Catalysis, 9/10, 2019, Page(s) 9134-9139, ISSN 2155-5435
Publisher: American Chemical Society
DOI: 10.1021/acscatal.9b02478

Stereospecific Isomerization of Allylic Halides via Ion Pairs with Induced Noncovalent Chirality

Author(s): Samuel Martinez-Erro, Víctor García-Vázquez, Amparo Sanz-Marco, Belén Martín-Matute
Published in: Organic Letters, 22/11, 2020, Page(s) 4123-4128, ISSN 1523-7060
Publisher: American Chemical Society
DOI: 10.1021/acs.orglett.0c01200

Unraveling the Mechanism of the Ir(III)‐Catalyzed Regiospecific Synthesis of α‐Chlorocarbonyl Compounds from Allylic Alcohols

Author(s): Belén Martín-Matute, Man Li, Amparo Sanz-Marco, Samuel Martinez-Erro, Víctor García-Vázquez, Binh Khanh Mai, Jacob Fernández-Gallardo, Fahmi Himo
Published in: Chemistry – A European Journal, 2020, ISSN 0947-6539
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/chem.202002845

Pentannulation of N-heterocycles by a tandem gold-catalyzed [3,3]-rearrangement/Nazarov reaction of propargyl ester derivatives: a computational study on the crucial role of the nitrogen atom

Author(s): Giovanna Zanella, Martina Petrović, Dina Scarpi, Ernesto G Occhiato, Enrique Gómez-Bengoa
Published in: Beilstein Journal of Organic Chemistry, 16, 2020, Page(s) 3059-3068, ISSN 1860-5397
Publisher: Beilstein-Institut
DOI: 10.3762/bjoc.16.255