Structure of 4468-57-9
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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. : | 4468-57-9 |
Formula : | C10H11NO2 |
M.W : | 177.20 |
SMILES Code : | N#CCC1=CC=CC(OC)=C1OC |
MDL No. : | MFCD00016387 |
InChI Key : | VAOKGCHIOACZHR-UHFFFAOYSA-N |
Pubchem ID : | 138263 |
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 |
---|---|---|
88% | With water; sodium hydroxide; at 110℃; for 10.5h; | <strong>[4468-57-9]2,3-dimethoxyphenylacetonitrile</strong> (1120 mg, 6.3 mmol) and sodium hydroxide (1190 mg, 48 mmol) are dissolved in water (30 mL) and the mixture is stirred at 110 C. for 10.5 hours. The reaction solution is washed with diethyl ether, hydrochloric acid is added to the aqueous layer, and the mixture is extracted with ethyl acetate. The solvent is distilled off under reduced pressure and pale yellow liquid (1091 mg, 5.6 mmol) is obtained in 88% yield. |
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