« NMR for Chemists | Main | ENC 2007 »

May 11, 2007


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Andrew Anderson

So I speak with quite a few spectroscopists and chemists in working in various industrial and pharmaceutical labs. Furthermore, in a previous life I supported the NMR and LC/MS intstruments for a group of about 100 working Medicinal Chemists. My take on the comment: while most chemists are indeed relying more heavily in MS (specifically LC/MS) to confirm completion of their reaction, they still need some sort of "proof" of the structure beyond MW (or really M+H, but that's a whole other blog!). A 1H NMR and LC/MS (perhaps also elemental analysis or accurate mass) is the minimum most labs agree on as the proof of structure needed for entering the synthetic material into a corporate registration system.

I would assert that for sure LC/MS is supplanting TLC as a means of confirming reaction completion. Also, the Chromatogram also gives the chemist an idea of purity (let's not talk about residual solvents, or salts present...). That said, 1H NMR is still considered the minimum for confirming structure.

Most chemistries employed in the med chem lab are fairly well controlled and predictable. However I don't believe that a chemist can argue that a structure is correct because the correct M+H is observed in the LC/MS.

Anyhow, I see the need for chemists to work as fast as possible to accelerate the drug discovery process. Can they omit the assurance of quality that good analytical results provide them? I for one hope not!

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