Počet záznamů: 1

Experimental and theoretical study of pyrazole N-alkylation catalyzed by basic modified molecular sieves

  1. 1.
    0345152 - UFCH-W 2011 RIV NL eng J - Článek v odborném periodiku
    Matos, I. - Pérez-Mayoral, E. - Soriano, E. - Zukal, Arnošt - Martín-Aranda, R. M. - López-Peinado, A. J. - Fonseca, I. - Čejka, Jiří
    Experimental and theoretical study of pyrazole N-alkylation catalyzed by basic modified molecular sieves.
    Chemical Engineering Journal. Roč. 161, č. 3 (2010), s. 377-383 ISSN 1385-8947
    Grant CEP: GA AV ČR 1QS400400560
    Výzkumný záměr: CEZ:AV0Z40400503
    Klíčová slova: pyrazole alkylation * basic mesoporous materials * reaction mechanism
    Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
    Impakt faktor: 3.074, rok: 2010

    Herein we report on the experimental and theoretical study of pyrazole alkylation catalyzed by basic mesoporous materials. (Cs)Al-SBA-15 or DEAPTS/MCM-4,1 differing in textural properties and compositions, were found to be efficient catalysts for pyrazole alkylation with different reactive alkyl bromides under thermal activation. They constitute the first examples of modified molecular sieves catalyzing this highly used transformation, showing a higher catalytic activity than other previously reported catalysts. DEAPTS/MCM-41 whose catalytic centers are tertiary amines resulting in the best catalyst for the investigated reactions. Furthermore, the catalytic pyrazole alkylation has been clarified by studying the reaction mechanism using computational approach.
    Trvalý link: http://hdl.handle.net/11104/0186484