Absolute Configuration of Chiral Molecules by VCD
This week in the world of BioTools:
Multigram Preparation of BRD4780 Enantiomers and Assignment of Absolute Stereochemistry
Brian T. Chamberlain*, Mathilde Vincent, Jordan Nafie, Peter Müller, Anna Greka, and Florence F. Wagner*
February 22, 2021, The Journal of Organic Chemistry
Abstract
The development of a multigram synthesis of 3-exo-isopropylbicyclo[2.2.1]heptan-2-endo-amine hydrochloride (1) (also known as BRD4780 and AGN-192403) is described. The process involves protection of the amine as 4-nitrobenzyl carbamate, pNZ, which enables chiral SFC chromatography. The absolute configuration (AC) of the individual enantiomers has been determined by Mosher’s amide method, VCD spectroscopy, and X-ray crystallography. We highlight the VCD approach as a rapid and effective means of AC determination that can be deployed directly on the target compounds.
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