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H-CCAT SIGNED

Solid Catalysts for activation of aromatic C-H bonds

Total Cost €

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EC-Contrib. €

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Partnership

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Outcomes and
results

H-CCAT project word cloud

Explore the words cloud of the H-CCAT project. It provides you a very rough idea of what is the project "H-CCAT" about.

carbenes site metal self catalyst influenza precluded drying ions porosity objectives kg resistant oxidative objects featuring shaped preserve prevented structure belgium leaching porous alkenylations elaboration flow biological rilpivirine solvents powders arylated selectivity form innovative materials economic molecules soft assembly hybrid scaled solid heterocyclic frameworks lca j metals tof techno aggregation designs demonstration hiv designed ton ligands ingredients reactions business compounds cancer silica plan deactivation organic waste pharmaceutical aromatic economical nhcs functionalization efficient aromatics homogeneous alkenylated ccat minipilot catalysts diseases minimizing synthesis isolation bonds possess recoverability upscales maximize methodology yielding turnover heterogeneous spray active relevance protocols swelling shaping diimine sites appropriate solids motifs immediately reoxidation shapes maximized

Project "H-CCAT" data sheet

The following table provides information about the project.

Coordinator	KATHOLIEKE UNIVERSITEIT LEUVEN Organization address address: OUDE MARKT 13 city: LEUVEN postcode: 3000 website: www.kuleuven.be contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.
Coordinator Country	Belgium [BE]
Project website	http://h-ccat.eu/
Total cost	7˙588˙312 €
EC max contribution	7˙588˙312 € (100%)
Programme	1. H2020-EU.2.1.3. (INDUSTRIAL LEADERSHIP - Leadership in enabling and industrial technologies - Advanced materials)
Code Call	H2020-NMBP-2016-two-stage
Funding Scheme	RIA
Starting year	2017
Duration (year-month-day)	from 2017-01-01 to 2020-12-31

Partnership

Take a look of project's partnership.

#	participants	country	role	EC contrib. [€]
1	KATHOLIEKE UNIVERSITEIT LEUVEN KATHOLIEKE UNIVERSITEIT LEUVEN Organization address address: OUDE MARKT 13 city: LEUVEN postcode: 3000 website: www.kuleuven.be contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.	BE (LEUVEN)	coordinator	1˙547˙600.00
2	CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE CNRS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE CNRS Organization address address: RUE MICHEL ANGE 3 city: PARIS postcode: 75794 website: www.cnrs.fr contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.	FR (PARIS)	participant	1˙580˙493.00
3	JANSSEN PHARMACEUTICA NV JANSSEN PHARMACEUTICA NV Organization address address: TURNHOUTSEWEG 30 city: BEERSE postcode: 2340 website: www.janssenpharmaceutica.be contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.	BE (BEERSE)	participant	1˙019˙475.00
4	PROFMOF AS PROFMOF AS Organization address address: KIRKEGARDSVEIN 45 city: KONGSBERG postcode: 3616 website: n.a. contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.	NO (KONGSBERG)	participant	568˙402.00
5	JOHNSON MATTHEY PLC JOHNSON MATTHEY PLC Organization address address: FARRINGDON STREET 25 5TH FLOOR city: LONDON postcode: EC4A 4AB website: www.matthey.com contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.	UK (LONDON)	participant	520˙667.00
6	GEORG-AUGUST-UNIVERSITAT GOTTINGENSTIFTUNG OFFENTLICHEN RECHTS GEORG-AUGUST-UNIVERSITAT GOTTINGENSTIFTUNG OFFENTLICHEN RECHTS Organization address address: WILHELMSPLATZ 1 city: GOTTINGEN postcode: 37073 website: http://www.uni-goettingen.de contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.	DE (GOTTINGEN)	participant	508˙750.00
7	UNIVERSITA DEGLI STUDI DI PERUGIA UNIVERSITA DEGLI STUDI DI PERUGIA Organization address address: PIAZZA DELL UNIVERSITA 1 city: PERUGIA postcode: 6123 website: www.unipg.it contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.	IT (PERUGIA)	participant	502˙075.00
8	FRAUNHOFER GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. FRAUNHOFER GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. Organization address address: HANSASTRASSE 27C city: MUNCHEN postcode: 80686 website: www.fraunhofer.de contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.	DE (MUNCHEN)	participant	499˙956.00
9	AXEL'ONE AXEL'ONE Organization address address: ROND POINT ECHANGEUR SOLAIZE city: SOLAIZE postcode: 69360 website: n.a. contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.	FR (SOLAIZE)	participant	436˙517.00
10	SIKEMIA SIKEMIA Organization address address: PLACE EUGENE BATAILLON CAMPUS city: MONTPELLIER CEDEX 5 postcode: 34095 website: n.a. contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.	FR (MONTPELLIER CEDEX 5)	participant	404˙375.00

Map

Project objective

Objectives The H-CCAT project designs, upscales and shapes hybrid catalysts for the C-H functionalization of aromatic compounds. These solid catalysts will possess better recoverability, higher turnover numbers and better selectivity than current homogeneous catalysts for these reactions. The solid catalysts are applied at demonstration scale in the step-economical production of arylated or alkenylated aromatics, yielding motifs of active pharmaceutical ingredients. Methodology We will design heterogeneous hybrid catalysts featuring deactivation-resistant active sites, based on N-heterocyclic carbenes (NHCs) or diimine ligands and active metal ions. Via efficient, one-step protocols based on self-assembly, these sites will be embedded in robust porous hybrid materials like hybrid silica or metal-organic frameworks. Deactivation or metal aggregation will be prevented by site isolation or by efficient metal reoxidation (for the oxidative alkenylations). Metal leaching is precluded by using strong bonds between metals and embedded ligands like NHCs. Flow protocols will be designed to maximize the turnover numbers. Catalyst synthesis will be scaled up to kg scale, using efficient one-step protocols, minimizing use of solvents or waste formation. Soft shaping methods, e.g. spray drying, will preserve porosity and activity of the hybrid solids. A demonstration is conducted at minipilot scale at the J&J site (Belgium), allowing LCA analysis, techno-economic assessment and elaboration of the business plan. Relevance to work program The catalysts feature new, deactivation resistant active sites; their TOF/TON is maximized by an appropriate porous structure which even can be swelling. Catalysts are produced using innovative one-step protocols to form porous hybrid catalysts as powders or even immediately as shaped objects. The molecules targeted have strong biological and pharmaceutical relevance; they target diseases like influenza, cancer or HIV (case study: Rilpivirine).

Deliverables

List of deliverables.
Delivery of first generation of Pd-functionalized hybrid silicas for direct C-H arylation	Demonstrators, pilots, prototypes	2020-03-27 09:22:17
Public website and yearly updates	Websites, patent fillings, videos etc.	2020-03-27 09:21:35
Mid-term workshop	Websites, patent fillings, videos etc.	2020-03-27 09:22:09
Delivery of first generation of Pd-functionalized redox MOFs for oxidative aryl homocoupling	Demonstrators, pilots, prototypes	2020-03-27 09:21:52
First summer school	Websites, patent fillings, videos etc.	2020-03-27 09:21:43

Take a look to the deliverables list in detail: detailed list of H-CCAT deliverables.

Publications

List of publications.
year	authors and title	journal	last update
2018	Cesar Parra-Cabrera, Clement Achille, Simon Kuhn, Rob Ameloot 3D printing in chemical engineering and catalytic technology: structured catalysts, mixers and reactors published pages: 209-230, ISSN: 0306-0012, DOI: 10.1039/c7cs00631d	Chemical Society Reviews 47/1	2020-03-05
2019	Sebastian Leubner, Haishuang Zhao, Niels Vanâ€…Velthoven, MickaÃ«l Henrion, Helge Reinsch, Dirk E. Deâ€…Vos, Ute Kolb, Norbert Stock Expanding the Variety of Zirconium-based Inorganic Building Units for Metal-Organic Frameworks published pages: 10995-11000, ISSN: 1433-7851, DOI: 10.1002/anie.201905456	Angewandte Chemie International Edition 58/32	2020-03-05
2019	Igor Beckers, MickaÃ«l Henrion, Dirk E. De Vos The Dual Effect of the Acetate Ligand on the Mechanism of the Pdâ€Catalyzed Câˆ’H/Câˆ’H Coupling of Benzene published pages: 90-94, ISSN: 1867-3880, DOI: 10.1002/cctc.201901238	ChemCatChem 12/1	2020-03-05
2019	Francesco Ferlin, Santhivardhana Reddy Yetra, Svenja Warratz, Luigi Vaccaro, Lutz Ackermann Reusable Pd@PEG Catalyst for Aerobic Dehydrogenative Câˆ’H/Câˆ’H Arylations of 1,2,3â€Triazoles published pages: 11427-11431, ISSN: 0947-6539, DOI: 10.1002/chem.201902901	Chemistry â€“ A European Journal 25/49	2020-03-05
2019	Niels Van Velthoven, Steve Waitschat, Sachin M. Chavan, Pei Liu, Simon Smolders, Jannick Vercammen, Bart Bueken, Sara Bals, Karl Petter Lillerud, Norbert Stock, Dirk E. De Vos Single-site metalâ€“organic framework catalysts for the oxidative coupling of arenes via Câ€“H/Câ€“H activation published pages: 3616-3622, ISSN: 2041-6520, DOI: 10.1039/C8SC05510F	Chemical Science 10/12	2020-03-05
2019	Francesco Ferlin, Alberto Marini, Nicola Ascani, Lutz Ackermann, Daniela Lanari, Luigi Vaccaro Heterogeneous Manganeseâ€Catalyzed Oxidase Câˆ’H/Câˆ’O Cyclization to Access Pharmaceutically Active Compounds published pages: 449-454, ISSN: 1867-3880, DOI: 10.1002/cctc.201901659	ChemCatChem 12/2	2020-03-05
2020	Francesco Ferlin, Pilar MarÃa Luque Navarro, Yanlong Gu, Daniela Lanari, Luigi Vaccaro Waste minimized synthesis of pharmaceutically active compounds via heterogeneous manganese catalysed Câ€“H oxidation in flow published pages: 397-403, ISSN: 1463-9262, DOI: 10.1039/c9gc02961c	Green Chemistry 22/2	2020-03-05
2020	Luigi Vaccaro, Ioannis Anastasiou, Niels Van Velthoven, Elena Tomarelli, Aurora Lombi, Daniela Lanari, Dirk De Vos, Pei Liu, Sara Bals C2â€“H Arylation of indoles catalyzed by Palladium containing Metalâ€Organicâ€Framework (Pdâ€MOF) in bioderived Î³â€valerolactone (GVL) published pages: , ISSN: 1864-5631, DOI: 10.1002/cssc.202000378	ChemSusChem	2020-03-05
2019	Francesco Ferlin, Mitchell K. van der Hulst, Stefano Santoro, Daniela Lanari, Luigi Vaccaro Continuous flow/waste-minimized synthesis of benzoxazoles catalysed by heterogeneous manganese systems published pages: 5298-5305, ISSN: 1463-9262, DOI: 10.1039/c9gc01641d	Green Chemistry 21/19	2020-03-05
2018	Alexander Bechtoldt, Marcel E. Baumert, Luigi Vaccaro, Lutz Ackermann Ruthenium( ii ) oxidase catalysis for Câ€“H alkenylations in biomass-derived Î³-valerolactone published pages: 398-402, ISSN: 1463-9262, DOI: 10.1039/C7GC03353B	Green Chemistry 20/2	2019-11-26
2018	Stefano Santoro, Assunta Marrocchi, Daniela Lanari, Lutz Ackermann, Luigi Vaccaro Towards Sustainable Câˆ’H Functionalization Reactions: The Emerging Role of Bio-Based Reaction Media published pages: , ISSN: 0947-6539, DOI: 10.1002/chem.201801114	Chemistry - A European Journal	2019-11-26
2018	Francesco Ferlin, Lorenzo Luciani, Stefano Santoro, Assunta Marrocchi, Daniela Lanari, Alexander Bechtoldt, Lutz Ackermann, Luigi Vaccaro A continuous flow approach for the Câ€“H functionalization of 1,2,3-triazoles in Î³-valerolactone as a biomass-derived medium published pages: 2888-2893, ISSN: 1463-9262, DOI: 10.1039/c8gc01115j	Green Chemistry 20/12	2019-11-26

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