Structure of 52924-54-6
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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'.
Search for reports by entering the product batch number.
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CAS No. : | 52924-54-6 |
Formula : | C7H5NO5 |
M.W : | 183.12 |
SMILES Code : | O=CC1=CC([N+]([O-])=O)=CC(O)=C1O |
MDL No. : | MFCD25964229 |
Boiling Point : | No data available |
InChI Key : | SCSROOBIOOCHHI-UHFFFAOYSA-N |
Pubchem ID : | 14450998 |
GHS Pictogram: |
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Signal Word: | Warning |
Hazard Statements: | H302-H315-H319-H335 |
Precautionary Statements: | P261-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 |
---|---|---|
In water; | b) 4.5 g of <strong>[52924-54-6]2,3-dihydroxy-5-nitrobenzaldehyde</strong> are suspended in 75 ml of water. After treatment with 4.2 g of hydroxylamine o-sulphonic acid, the mixture is stirred at 65 for 16 hours. After cooling the separated crystals are filtered under suction and washed with water. The filtrate is extracted with ethyl acetate. The crystals and the dried organic phase are combined, whereupon the mixture is evaporated and the residue is recrystallized from diisopropyl ether. There is obtained 2,3-dihydroxy-5-nitrobenzonitrile in the form of yellow crystals of m.p. 186-188. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In acetic acid; ethyl acetate; | a) 10.0 g of 2,3-dimethoxy-5-nitrobenzaldehyde are treated with 50 ml of glacial acetic acid and 50 ml of constant-boiling hydrobromic acid and held at the reflux temperature for 7 hours. After treatment with ice the separated precipitate is filtered under suction, washed with water and taken up in ethyl acetate. The organic phase is dried over sodium sulfate and evaporated. The crude product obtained is filtered over silica gel with ethyl acetate. After crystallization from ethyl acetate/hexane there is obtained 2,3-dihydroxy-5-nitro- benzaldehyde in the form of brownish crystals of m.p. 226-228. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
74% | In ethanol;Reflux; | General procedure: To a solution of (R)-(-)-2-(diphenylphosphino)-1,1'-binaphthyl-2'-amine1,2 (227 mg, 0.5 mmol) in absolute ethanol (4.0 mL) was added salicylaldehydes (0.5 mmol) or its analogues (0.5 mmol) at room temperature and the reaction mixture was stirred under reflux overnight. After cooling to room temperature, precipitates settled out, which were filtered to give the corresponding phosphine-salen type ligands and phosphine-Schiff base type ligands L1-L13 in good yields. |