| Autor: |
Kepa K. Burusco, Albert Virgili, Carlos Jaime, Antoni Caparrós, Susana Portillo |
| Rok vydání: |
2014 |
| Předmět: |
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| Zdroj: |
Magnetic Resonance in Chemistry. 52:440-447 |
| ISSN: |
0749-1581 |
| Popis: |
The configurational and conformational structure of alfentanil hydrochloride (1) was studied by nuclear magnetic resonance and theoretical calculations. Compound 1 is best described by equilibrium between two stereoisomeric piperidinium rings with the N-substituent always being in equatorial position. Nuclear magnetic resonance spectra demonstrate that, depending on the solvent, 1 adopts the conformation with an axial methoxymethylene group. Computations were crucial in determining the importance of the transannular attractive interaction between the positive charge at the piperidinium N-atom and the methoxymethyl group in position 4. Copyright © 2014 John Wiley & Sons, Ltd. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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