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Topic: Crude NMR analysis  (Read 1287 times)

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Offline phth

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Crude NMR analysis
« on: October 02, 2019, 02:03:55 PM »
Hello,
Is anyone aware of a journal that accepts crude NMR as a form of analysis for publication? Early on in my PhD, I did a set of optimization experiments analyzing a sensitive molecule to oxygen, so I was wondering if anyone is aware of a lower tier journal that would accept it (maybe with 1 isolation)???
Thanks!

Offline kriggy

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Re: Crude NMR analysis
« Reply #1 on: October 02, 2019, 08:11:14 PM »
 There is lots of papers that say something like: "reaction conducted on 0 mmol scale, yield calculated by NMR..." If you have clear spectra of the product using optimized conditions you are fine. Even better, if its known compound, you might get away with saying "product matched analytical data from ref. XY"

Offline phth

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Re: Crude NMR analysis
« Reply #2 on: October 04, 2019, 02:53:01 PM »
There is lots of papers that say something like: "reaction conducted on 0 mmol scale, yield calculated by NMR..." If you have clear spectra of the product using optimized conditions you are fine. Even better, if its known compound, you might get away with saying "product matched analytical data from ref. XY"

Thanks. What are the journal names?

Offline kriggy

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Re: Crude NMR analysis
« Reply #3 on: October 05, 2019, 05:16:04 PM »
Eh good question. YOu mean something like this?

6-(tert-butyl)-1-(naphthalen-1-yl)-2-(trifluoromethyl)-1H-benzo[d]imidazole (7). To an oven dried 4 mL vial equipped with a magnetic stir bar was added N-(4-(tert-butyl)-2-(naphthalen-1-ylamino)phenyl)-2,2,2-trifluoroacetamide (6) (7.7 mg, 0.02 mmol, 1 equiv),(R)-CPA, pThr1, or pThr2 (0.002 mmol, 0.1 equiv), and toluene (0.2 mL, 0.1 M). The vial was sealed with a Teflon Cap and further secured with Parafilm M®. The reaction mixture was left to stir for 24 h at 60 ˚C, and then cooled to room temperature. The solvent was removed in vacuo and the crude product was used to 1 H NMR to determine the conversion and chiral HPLC to determine enantioselectivity.


Kwon, Y., Chinn, A. J., Kim, B., & Miller, S. J. (2018). Divergent Control of Point and Axial Stereogenicity: Catalytic Enantioselective C−N Bond-Forming Cross-Coupling and Catalyst-Controlled Atroposelective Cyclodehydration. Angewandte Chemie - International Edition, 57(21), 6251–6255. https://doi.org/10.1002/anie.201802963

Offline wildfyr

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Re: Crude NMR analysis
« Reply #4 on: October 07, 2019, 01:08:39 PM »
phth you seem to really be fishing for a suggested journal here, and there just isn't a blatant answer. Kriggy cited Angwandte Chemie, which is one of the most prestigious in the world.

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