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Experimental and theoretical study of pyrazole N-alkylation catalyzed by basic modified molecular sieves
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SYSNO ASEP 0345152 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Experimental and theoretical study of pyrazole N-alkylation catalyzed by basic modified molecular sieves Tvůrce(i) Matos, I. (PT)
Pérez-Mayoral, E. (ES)
Soriano, E. (ES)
Zukal, Arnošt (UFCH-W) RID
Martín-Aranda, R. M. (ES)
López-Peinado, A. J. (ES)
Fonseca, I. (PT)
Čejka, Jiří (UFCH-W) RID, ORCID, SAIZdroj.dok. Chemical Engineering Journal. - : Elsevier - ISSN 1385-8947
Roč. 161, č. 3 (2010), s. 377-383Poč.str. 7 s. Jazyk dok. eng - angličtina Země vyd. NL - Nizozemsko Klíč. slova pyrazole alkylation ; basic mesoporous materials ; reaction mechanism Vědní obor RIV CF - Fyzikální chemie a teoretická chemie CEP 1QS400400560 GA AV ČR - Akademie věd CEZ AV0Z40400503 - UFCH-W (2005-2011) UT WOS 000280259200010 DOI 10.1016/j.cej.2009.09.040 Anotace 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. Pracoviště Ústav fyzikální chemie J.Heyrovského Kontakt Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Rok sběru 2011
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