No renderable structure data available
COC(=O)C1=CC(=C(C(=C1)Br)O)FChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | methyl 3-bromo-5-fluoro-4-hydroxybenzoate |
|---|---|
| IUPAC Name | — |
| CAS Number | 445019-48-7 |
| Database ID | 57467610 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
methyl 3-bromo-5-fluoro-4-hydroxybenzoate (CAS 445019-48-7) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
Potential Applications
For professional research and industrial use only
Database ID 57467610
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
12 reactions · 12 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-283f632ae39c4facadb6919f5dd80372Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-db56ac4fc9b84676b1696a5bbffb3ab7Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 3-bromo-5-fluoro-4-hydroxybenzoic acid methyl ester (637 mg) in acetone (7 mL) were added potassium carbonate (708 mg) and chloromethyl methyl ether (412 mg), and the mixture was stirred at room temperature overnight. The reaction mixture was diluted with ethyl acetate, washed with water and saturated brine, dried over anhydrous sodium sulfate, and concentrated in vacuo. The residue was purified by column chromatography on silica gel (hexane:ethyl acetate=9:1, v/v) to give the title compound (608 mg). washed with water and saturated brine dried over anhydrous sodium sulfate concentrated in vacuo The residue was purified by column chromatography on silica gel (hexane
Source ID: ord-b88afdcd891b4a598cd288cb275ead05Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 3-fluoro-4-hydroxybenzoic acid methyl ester (1.0 g) in THF (10 mL) was added N-bromosuccinimide (1.26 g) under ice-cooling, and the mixture was stirred at room temperature for 2 hours The reaction solution was diluted with ethyl acetate, washed successively with saturated aqueous sodium bicarbonate and saturated brine, dried over anhydrous sodium sulfate, and concentrated. The residue was purified by column chromatography on silica gel (hexane:ethyl acetate=3:1, v/v) to give the title compound (1.16 g). (In the above, THF is tetrahydrofuran) cooling washed successively with saturated aqueous sodium bicarbonate and saturated brine dried over anhydrous sodium sulfate concentrated The residue was purified by column chromatography on silica gel (hexane
Source ID: ord-228cbbd811a94f878fcb2f5bc1593217Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 6 g (24.09 mmol) of the product obtained in step 1 were dissolved in 60 ml of acetone, 10.13 g (2.270 mmol) of potassium carbonate and 6.84 g (48.18 mmol) of iodomethane were added, and the mixture was stirred for 4 days. Then is was filtered and evaporated. The resulting product (5.8 g) was used in the next step without further purification. Then is was filtered evaporated The resulting product (5.8 g) was used in the next step without further purification
Source ID: ord-655597f546b3408f909ac54e3c6d0729Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: During 30 min, 5.64 g (35.27 mmol) of bromine were added to a solution of 5.00 g (29.39 mmol) of 3-fluoro-4-hydroxy-benzoic acid methyl ester in 30 ml of DCM and 30 ml of acetic acid at 0° C. After stirring overnight, 200 ml of methyl acetate were added. The resulting solution was extracted with a solution of 7.56 g (60 mmol) of sodium sulfite in 50 ml of water, a saturated sodium chloride solution and water. The organic phase was dried over sodium sulfate, filtered and evaporated. The resulting white solid (7.2 g) was used in the next step without further purification. The organic phase was dried over sodium sulfate filtered evaporated The resulting white solid (7.2 g) was used in the next step without further purification
Source ID: ord-59bd07b0164a4532950e03b82be06bebConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: During 30 min, 5.64 g (35.27 mmol) of bromine were added to a solution of 5.00 g (29.39 mmol) of 3-fluoro-4-hydroxy-benzoic acid methyl ester in 30 ml of DCM and 30 ml of acetic acid at 0° C. After stirring overnight, 200 ml of methyl acetate were added. The resulting solution was extracted with a solution of 7.56 g (60 mmol) of sodium sulfite in 50 ml of water, a saturated sodium chloride solution and water. The organic phase was dried over sodium sulfate, filtered and evaporated. The resulting white solid (7.2 g) was used in the next step without further purification. The organic phase was dried over sodium sulfate filtered evaporated The resulting white solid (7.2 g) was used in the next step without further purification
Source ID: ord-59bd07b0164a4532950e03b82be06bebConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 3-bromo-5-fluoro-4-hydroxybenzoic acid methyl ester (637 mg) in acetone (7 mL) were added potassium carbonate (708 mg) and chloromethyl methyl ether (412 mg), and the mixture was stirred at room temperature overnight. The reaction mixture was diluted with ethyl acetate, washed with water and saturated brine, dried over anhydrous sodium sulfate, and concentrated in vacuo. The residue was purified by column chromatography on silica gel (hexane:ethyl acetate=9:1, v/v) to give the title compound (608 mg). washed with water and saturated brine dried over anhydrous sodium sulfate concentrated in vacuo The residue was purified by column chromatography on silica gel (hexane
Source ID: ord-b88afdcd891b4a598cd288cb275ead05Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 3-bromo-5-fluoro-4-hydroxybenzoic acid methyl ester (637 mg) in acetone (7 mL) were added potassium carbonate (708 mg) and chloromethyl methyl ether (412 mg), and the mixture was stirred at room temperature overnight. The reaction mixture was diluted with ethyl acetate, washed with water and saturated brine, dried over anhydrous sodium sulfate, and concentrated in vacuo. The residue was purified by column chromatography on silica gel (hexane:ethyl acetate=9:1, v/v) to give the title compound (608 mg). washed with water and saturated brine dried over anhydrous sodium sulfate concentrated in vacuo The residue was purified by column chromatography on silica gel (hexane
Source ID: ord-b88afdcd891b4a598cd288cb275ead05Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 3-fluoro-4-hydroxybenzoic acid methyl ester (1.0 g) in THF (10 mL) was added N-bromosuccinimide (1.26 g) under ice-cooling, and the mixture was stirred at room temperature for 2 hours The reaction solution was diluted with ethyl acetate, washed successively with saturated aqueous sodium bicarbonate and saturated brine, dried over anhydrous sodium sulfate, and concentrated. The residue was purified by column chromatography on silica gel (hexane:ethyl acetate=3:1, v/v) to give the title compound (1.16 g). (In the above, THF is tetrahydrofuran) cooling washed successively with saturated aqueous sodium bicarbonate and saturated brine dried over anhydrous sodium sulfate concentrated The residue was purified by column chromatography on silica gel (hexane
Source ID: ord-228cbbd811a94f878fcb2f5bc1593217Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-283f632ae39c4facadb6919f5dd80372Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-db56ac4fc9b84676b1696a5bbffb3ab7PubChem References
These sources are listed in the compound's public database record.
Request a Quote
Send the required specification, quantity, destination and intended use. The CATO team will review availability and respond.