Tetrahedron

Regioselective formation of N-alkyl-3, 5-pyrazole derived ligands. A synthetic and computational study

V Montoya, J Pons, V Branchadell, J Ros

Index: Montoya, Vanessa; Pons, Josefina; Branchadell, Vicenc; Ros, Josep Tetrahedron, 2005 , vol. 61, # 52 p. 12377 - 12385

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Citation Number: 24

Abstract

New N-alkyl-3, 5-pyrazole derived ligands were synthesized by reaction between 3, 5- pyrazole derived ligands and the appropriate haloalkane in toluene or THF using NaOEt or NaH as base. When the precursor ligand bears a pyridyl substituent the alkylation reaction presents a large regioselectivity. Theoretical calculations have been carried out to rationalize the experimental observations. It has been shown that regioselectivity is ...