Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

Keywords

Equipment

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Asymmetric nucleophilic catalysis with N-heterocyclic carbenes and phosphines. New reactions, catalysts, and methods of research.

2014/15/D/ST5/02579

Keywords:

asymmetric catalysis organocatalysis phosphines N-heterocyclic carbenes mechanistic studies computational chemistry

Descriptors:

  • ST5_23:
  • ST5_18:
  • ST4_15: Colloid chemistry

Panel:

ST5 - Materials: materials synthesis, structure-properties relations, advanced and functional materials with designed properties, (macro)molecular architecture, material engineering

Host institution :

Uniwersytet Warszawski, Centrum Nowych Technologii Uniwersytetu Warszawskiego

woj. mazowieckie

Other projects carried out by the institution 

Principal investigator (from the host institution):

dr Marcin Kałek 

Number of co-investigators in the project: 2

Call: SONATA 8 - announced on 2014-09-15

Amount awarded: 975 360 PLN

Project start date (Y-m-d): 2015-10-01

Project end date (Y-m-d): 2019-09-30

Project duration:: 48 months (the same as in the proposal)

Project status: Project settled

Equipment purchased [PL]

  1. Instalacja do gazów laboratoryjnych (10 000 PLN)
  2. Mieszadło magnetyczne z ogrzewaniem i kontrolą temperatury (4 szt.) (14 000 PLN)
  3. System oczyszczania rozpuszczalników (do tetrahydrofuranu, toluenu, eteru dietylowego, dichlorometanu) (4 szt.) (50 000 PLN)
  4. Linia Schlenka (azotowo-próżniowa) (2 szt.) (10 000 PLN)
  5. Pompa próżniowa membranowa (10 000 PLN)
  6. Pompa próżniowa olejowa (10 000 PLN)
  7. Elektroniczna waga laboratoryjna z dokładnością do 0,1 mg (2 szt.) (15 000 PLN)
  8. Wyparka rotacyjna (12 000 PLN)
  9. Kriostat zanurzeniowy (10 000 PLN)
  10. System do wysokowydajnej chromatografii cieczowej z zestawem kolumn chiralnych (200 000 PLN)
  11. Glovebox z atmosferą gazu obojętnego (140 000 PLN)
  12. Suszarka laboratoryjna (5 000 PLN)
  13. Szkło laboratoryjne i mały sprzęt (12 000 PLN)

Information in the final report

  • Publication in academic press/journals (6)
  1. Elucidation of Mechanisms and Selectivities of Metal-Catalyzed Reactions using Quantum Chemical Methodology
    Authors:
    Stefano Santoro, Marcin Kalek, Genping Huang, Fahmi Himo*
    Academic press:
    Accounts of Chemical Research (rok: 2016, tom: 49, strony: 1006-1018), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.accounts.6b00050 - link to the publication
  2. Mechanistic Insight into Enantioselective Palladium-Catalyzed Oxidative Carbocyclization-Borylation of Enallenes
    Authors:
    Youai Qiu, Abraham Mendoza, Daniels Posevins, Fahmi Himo, Marcin Kalek*, Jan-E. Backvall*
    Academic press:
    Chemistry - A European Journal (rok: 2018, tom: 24, strony: 2433-2439), Wydawca: WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
    Status:
    Published
    DOI:
    10.1002/chem.201705239 - link to the publication
  3. Mechanism and Selectivity of Cooperatively-Catalyzed Meyer-Schuster Rearrangement/Tsuji-Trost Allylic Substitution. Evaluation of Synergistic Catalysis by Means of Combined DFT and Kinetics Simulations.
    Authors:
    Marcin Kalek*, Fahmi Himo*
    Academic press:
    Journal of the American Chemical Society (rok: 2017, tom: 139, strony: 10250-10266), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/jacs.7b01931 - link to the publication
  4. N-Heterocyclic Carbene-Catalyzed Olefination of Aldehydes with Vinyliodonium Salts to Generate α,β-Unsaturated Ketones
    Authors:
    Adam A. Rajkiewicz, Marcin Kalek*
    Academic press:
    Organic Letters (rok: 2018, tom: 20, strony: 1906-1909), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.orglett.8b00447 - link to the publication
  5. N-Heterocyclic Carbene-Catalyzed Synthesis of Ynones via C–H Alkynylation of Aldehydes with Alkynyliodonium Salts – Evidence for Alkynyl Transfer via SN2 Substitution at Acetylenic Carbon
    Authors:
    Adam A. Rajkiewicz, Natalia Wojciechowska, Marcin Kałek*
    Academic press:
    ACS Catalysis (rok: 2020, tom: 10, strony: 831-841), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acscatal.9b04394 - link to the publication
  6. Caution in the Use of Nonlinear Effects as a Mechanistic Tool for Catalytic Enantioconvergent Reactions: Intrinsic Negative Nonlinear Effects in the Absence of Higher-Order Species
    Authors:
    Marcin Kalek*, Gregory C. Fu*
    Academic press:
    Journal of the American Chemical Society (rok: 2017, tom: 139, strony: 4225-4229), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/jacs.7b01826 - link to the publication

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