title: Synthesis of a new quaternary phosphonium salt: NMR study of the conformational structure and dynamics.
abstract: A novel phosphonium salt based on pyridoxine was synthesized. Conformational analysis of the compound in solution was performed using dynamic NMR experiments and calculations. The obtained results revealed some differences in the conformational transitions and the energy parameters of the conformational exchange of the studied compound in comparison to previously reported data for other phosphorus-containing pyridoxine derivatives. It was shown that increasing the substituent at the C-11 carbon leads to greater differences in the populations of stable states and the corresponding equilibrium energies. Copyright © 2015 John Wiley & Sons, Ltd.
authors.affiliation: Institute of Physics, Kazan (Volga Region) Federal University, Kremlevskaya Str., 18, 420008, Kazan, Russia.
authors.forename: Oksana V
authors.initials: OV
authors.lastname: Aganova
authors.affiliation: Institute of Physics, Kazan (Volga Region) Federal University, Kremlevskaya Str., 18, 420008, Kazan, Russia.
authors.forename: Leysan F
authors.initials: LF
authors.lastname: Galiullina
authors.affiliation: Institute of Physics, Kazan (Volga Region) Federal University, Kremlevskaya Str., 18, 420008, Kazan, Russia.
authors.forename: Albert V
authors.initials: AV
authors.lastname: Aganov
authors.affiliation: Research and Educational Center of Pharmacy, Kazan Federal University, Kazan, 420008, Russia.
authors.forename: Nikita V
authors.initials: NV
authors.lastname: Shtyrlin
authors.affiliation: Research and Educational Center of Pharmacy, Kazan Federal University, Kazan, 420008, Russia.
authors.forename: Mikhail V
authors.initials: MV
authors.lastname: Pugachev
authors.affiliation: Research and Educational Center of Pharmacy, Kazan Federal University, Kazan, 420008, Russia.
authors.forename: Alexey D
authors.initials: AD
authors.lastname: Strel'nik
authors.affiliation: Research and Educational Center of Pharmacy, Kazan Federal University, Kazan, 420008, Russia.
authors.forename: Sergey A
authors.initials: SA
authors.lastname: Koshkin
authors.affiliation: Research and Educational Center of Pharmacy, Kazan Federal University, Kazan, 420008, Russia.
authors.forename: Yurii G
authors.initials: YG
authors.lastname: Shtyrlin
authors.affiliation: Institute of Physics, Kazan (Volga Region) Federal University, Kremlevskaya Str., 18, 420008, Kazan, Russia.
authors.forename: Vladimir V
authors.initials: VV
authors.lastname: Klochkov
mesh_terms: D003511:Cyclohexanols / Q000138:chemical synthesis* / Q000737:chemistry; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D008958:Models, Molecular; D011789:Quantum Theory; D013237:Stereoisomerism
chemical_list: D003511:Cyclohexanols
keywords: conformational transition; dynamic 1H NMR; energy barrier; nuclear Overhauser effect; quaternary phosphonium salts