Conformational analysis and crystal structure of {[1-(3-chloro-4-fluorobenzoyl)-4-fluoropiperidin-4yl] methyl}[(5-methylpyridin-2-yl) methyl] amine, fumaric acid salt

…, R Pena, JL Maurel, C Belin, M Tillard, B Vacher…

Index: Ribet; Pena; Maurel; Belin; Tillard; Vacher; Bonnaud; Colpaert Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2005 , vol. 62, # 1-3 p. 353 - 363

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Citation Number: 2

Abstract

{[1-(3-Chloro-4-fluorobenzoyl)-4-fluoropiperidin-4yl] methyl}[(5-methylpyridin-2-yl) methyl] amine, fumaric acid salt (C20H22ClF2N3O, C4H4O4)(1) was synthesized and characterized by the complete 1H, 13C and 19F NMR analyses. The conformation of the piperidin ring, in the solution state, was particularly studied from the coupling constants determined by recording a double-quantum filtered COSY experiment in phase-sensitive mode. 1H NMR ...