Comparative conformational study of α and β epimers of 3-phenethyl-3-azabicyclo [3.2.1] octan-8-ol with atropine and azaprophen (cas 107010-27-5).

Add time:08/10/2019    Source:sciencedirect.com

Conformational analysis of α(I) and β(II) epimers of 3-phenethyl-3-azabicyclo [3.2.1] octan-8-ol has been performed using the Molecular Mechanics Method (MM2). In both cases, the global minimum-energy conformer was the slight distorted chair form with the N-phenethyl group in equatorial position. The preferred conformation is in agreement with the form adopted in solid state and in solution in polar solvents. Higher energy differences between N-axial and N-equatorial conformations have been found with respect to tropine and 6-methyl-6-azabicyclo [3.2.1] octan-3-α-ol, the ami noalcohols components of atropine and azaprophen.

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