Structure of 111252-31-4
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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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CAS No. : | 111252-31-4 |
Formula : | C7H5BrO3 |
M.W : | 217.02 |
SMILES Code : | O=C(O)/C=C/C1=CC=C(Br)O1 |
MDL No. : | MFCD02708232 |
InChI Key : | IIMYTCICBUBFJH-DUXPYHPUSA-N |
Pubchem ID : | 946089 |
GHS Pictogram: |
![]() |
Signal Word: | Warning |
Hazard Statements: | H302-H315-H319-H335 |
Precautionary Statements: | P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 |
* 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 |
---|---|---|
60% | With piperidine; In pyridine; for 3.0h;Inert atmosphere; Reflux; | General Procedure: Piperidine was added to a solution of the appropriate aldehyde (4.97 mmol), malonic acid (5.96 mmol) and pyridine (10.94 mmol) under nitrogen atmosphere. The reaction mixture was heated to reflux under vigorous stirring for 3 hours, after which according to TLC the reaction was completed. The reaction mixture was allowed to cool and EtOAc (20 mL) was added, acidified to pH 5 with 1 M HCl, and the organic layer was sequentially washed with water, dried over MgSO4 and concentrated in vacuo. The pure desired product was obtained after purification by column chromatography. |
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