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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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 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.

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

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 BE (LEUVEN) coordinator 1˙547˙600.00
2    CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE CNRS FR (PARIS) participant 1˙580˙493.00
3    JANSSEN PHARMACEUTICA NV BE (BEERSE) participant 1˙019˙475.00
4    PROFMOF AS NO (KONGSBERG) participant 568˙402.00
5    JOHNSON MATTHEY PLC UK (LONDON) participant 520˙667.00
6    GEORG-AUGUST-UNIVERSITAT GOTTINGENSTIFTUNG OFFENTLICHEN RECHTS DE (GOTTINGEN) participant 508˙750.00
7    UNIVERSITA DEGLI STUDI DI PERUGIA IT (PERUGIA) participant 502˙075.00
8    FRAUNHOFER GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. DE (MUNCHEN) participant 499˙956.00
9    AXEL'ONE FR (SOLAIZE) participant 436˙517.00
10    SIKEMIA 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

year authors and title journal last update
List of publications.
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 Van Velthoven, Mickaël Henrion, Helge Reinsch, Dirk E. De 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, Mickaël Henrion, Dirk E. De Vos
The Dual Effect of the Acetate Ligand on the Mechanism of the Pd‐Catalyzed C−H/C−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 C−H/C−H Arylations of 1,2,3‐Triazoles
published pages: 11427-11431, ISSN: 0947-6539, DOI: 10.1002/chem.201902901
Chemistry – 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 metal–organic framework catalysts for the oxidative coupling of arenes via C–H/C–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 Manganese‐Catalyzed Oxidase C−H/C−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 María Luque Navarro, Yanlong Gu, Daniela Lanari, Luigi Vaccaro
Waste minimized synthesis of pharmaceutically active compounds via heterogeneous manganese catalysed C–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
C2–H Arylation of indoles catalyzed by Palladium containing Metal‐Organic‐Framework (Pd‐MOF) in bioderived γ‐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 C–H alkenylations in biomass-derived γ-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 C−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 C–H functionalization of 1,2,3-triazoles in γ-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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