Structure of 2577-48-2
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The BI-3802 was designed by Boehringer Ingelheim and could be obtained free of charge through the Boehringer Ingelheim open innovation portal opnMe.com, associated with its negative control.
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Batch number can be found on the product's label following the word 'Batch'.
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CAS No. : | 2577-48-2 |
Formula : | C6H11NO2 |
M.W : | 129.16 |
SMILES Code : | O=C([C@H]1NCCC1)OC |
MDL No. : | MFCD03790963 |
GHS Pictogram: |
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Signal Word: | Warning |
Hazard Statements: | H302-H315-H319-H332-H335 |
Precautionary Statements: | P261-P280-P305+P351+P338 |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
94% | at 90℃; for 0.166667h;Inert atmosphere; | (S)-Methyl pyrrolidine-2-carboxylate (6.56 g, 50.8 mmol) was added to <strong>[59237-53-5]methyl 6-chloro-5-nitronicotinate</strong> (5.00 g, 23.1 mmol) and the reaction mixture was stirred at 90° C. for 10 min (exothermic reaction). It as cooled to room temperature, diluted with EtOAc (10 mL) and purified using flash column chromatography on silica gel (20-30percent EtOAc in hexanes) to afford the title compound as a yellow oil (6.70 g, 94percent). [M+H] calc'd for C13H15N3O6, 310; found, 310. |