Structure of 52159-64-5
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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. : | 52159-64-5 |
Formula : | C11H14O3 |
M.W : | 194.23 |
SMILES Code : | O=C(C1C(O)=C(C(C)C)C=CC=1)OC |
MDL No. : | MFCD24714020 |
InChI Key : | TZJOTDHMGVBGRS-UHFFFAOYSA-N |
Pubchem ID : | 18469877 |
GHS Pictogram: |
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Signal Word: | Warning |
Hazard Statements: | H302-H315-H319-H335 |
Precautionary Statements: | P270-P271-P280-P261-P264-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-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 |
---|---|---|
With sulfuric acid; at 45 - 60℃; for 36.0h; | To a solution of 2-hydroxy-3-isopropylbenzoic acid (4.5 g, 25 mmol) in MeOH (75 mL) is added 10 drops of sulfuric acid and the mixture is heated in an oil bath at 45 0C for 18 h. <n="85"/>Extra sulfuric acid (10 drops) is added and the mixture is heated again at 60 0C for 18 h. Solvent is evaporated under reduced pressure and the residue is dissolved in EtOAc. The organic phase is then washed with saturated NaHCO3 (4x), water (1x) and brine and is dried with Na2SO4 and MgSO4, and concentrated. The residue is purified by flash column chromatography to give the title compound as an oil. |