No renderable structure data available
COC(=O)CC1=C(C=CC(=C1)Br)FChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | methyl 2-(5-bromo-2-fluorophenyl)acetate |
|---|---|
| IUPAC Name | — |
| CAS Number | 885068-47-3 |
| Database ID | 58148958 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
methyl 2-(5-bromo-2-fluorophenyl)acetate (CAS 885068-47-3) 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 58148958
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-fd9f96f75357466681e3c6b18e474da9Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Prepared according to the procedure described in Example 1, Step 4, using the following starting materials: ethyl-[2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-5-trifluoromethyl-benzyl]-carbamic acid benzyl ester and (5-bromo-2-fluoro-phenyl)-acetic acid methyl ester. Prepared
Source ID: ord-4c9564ba22f243b9a6733b89eb7530edConditions: temp:90.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of (5-bromo-2-fluoro-phenyl)-acetic acid (2.3 mmol) in MeOH (15 mL) was added 4N HCl in 1,4-dioxane (2 mL), and the reaction was stirred at 90° C. for 2 hours. The mixture was concentrated, and the residue was purified by silica gel chromatography to give the title compound. The mixture was concentrated the residue was purified by silica gel chromatography
Source ID: ord-57f0b91e6881458fa8a9ff486027b708Conditions: temp:90.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of (5-bromo-2-fluoro-phenyl)-acetic acid (2.3 mmol) in MeOH (15 mL) was added 4N HCl in 1,4-dioxane (2 mL), and the reaction was stirred at 90° C. for 2 hours. The mixture was concentrated, and the residue was purified by silica gel chromatography to give the title compound. The mixture was concentrated the residue was purified by silica gel chromatography
Source ID: ord-57f0b91e6881458fa8a9ff486027b708Conditions: temp:64.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 5-bromo-2-fluorophenylacetic acid (5 g) in MeOH (200 mL) is added concentrated sulfuric acid (2 mL) and the solution is heated at 64° C. for 16 hours. The solution is evaporated in vacuo and the residue is taken up in EtOAc and washed with 10% sodium bicarbonate, brine and dried over sodium sulfate. The solution is filtered and evaporated in vacuo to afford (5-bromo-2-fluoro-phenyl)-acetic acid methyl ester (5.1 g). 1H NMR (300 MHz, CDCl3) □7.3-7.5 (m, 2H); 6.9 (m, 1H); 3.9 (s, 3H). The solution is evaporated in vacuo washed with 10% sodium bicarbonate, brine dried over sodium sulfate The solution is filtered evaporated in vacuo
Source ID: ord-9e574eeed79d45da9a30ccfbae9d5b6cConditions: temp:64.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 5-bromo-2-fluorophenylacetic acid (5 g) in MeOH (200 mL) is added concentrated sulfuric acid (2 mL) and the solution is heated at 64° C. for 16 hours. The solution is evaporated in vacuo and the residue is taken up in EtOAc and washed with 10% sodium bicarbonate, brine and dried over sodium sulfate. The solution is filtered and evaporated in vacuo to afford (5-bromo-2-fluoro-phenyl)-acetic acid methyl ester (5.1 g). 1H NMR (300 MHz, CDCl3) □7.3-7.5 (m, 2H); 6.9 (m, 1H); 3.9 (s, 3H). The solution is evaporated in vacuo washed with 10% sodium bicarbonate, brine dried over sodium sulfate The solution is filtered evaporated in vacuo
Source ID: ord-9e574eeed79d45da9a30ccfbae9d5b6cConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-fd9f96f75357466681e3c6b18e474da9Conditions: temp:64.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 5-bromo-2-fluorophenylacetic acid (5 g) in MeOH (200 mL) is added concentrated sulfuric acid (2 mL) and the solution is heated at 64° C. for 16 hours. The solution is evaporated iii vacuo and the residue is taken up in EtOAc and washed with 10% sodium bicarbonate, brine and dried over sodium sulfate. The solution is filtered and evaporated in vacuo to afford (5-bromo-2-fluoro-phenyl)-acetic acid methyl ester (5.1 g). 1H NMR (300 MHz, CDCl3) □7.3-7.5 (m, 2H); 6.9 (m, 1H); 3.9 (s, 3H). The solution is evaporated iii vacuo washed with 10% sodium bicarbonate, brine dried over sodium sulfate The solution is filtered evaporated in vacuo
Source ID: ord-50655137479046c9a2c9207a5cd99ea8Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Prepared according to the procedure described in Example 1, Step 4, using the following starting materials: ethyl-[2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-5-trifluoromethyl-benzyl]-carbamic acid benzyl ester and (5-bromo-2-fluoro-phenyl)-acetic acid methyl ester. Prepared
Source ID: ord-d03fbeab58bf4058a1c63713849857b7Conditions: temp:90.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of (5-bromo-2-fluoro-phenyl)-acetic acid (2.3 mmol) in MeOH (15 mL) was added 4N HCl in 1,4-dioxane (2 mL), and the reaction was stirred at 90° C. for 2 hours. The mixture was concentrated, and the residue was purified by silica gel chromatography to give the title compound. The mixture was concentrated the residue was purified by silica gel chromatography
Source ID: ord-cf108a57adc44f218f91810d6e0ed841Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Prepared according to the procedure described in Example 1, Step 4, using the following starting materials: ethyl-[2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-5-trifluoromethyl-benzyl]-carbamic acid benzyl ester and (5-bromo-2-fluoro-phenyl)-acetic acid methyl ester. Prepared
Source ID: ord-4c9564ba22f243b9a6733b89eb7530edConditions: temp:90.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of (5-bromo-2-fluoro-phenyl)-acetic acid (2.3 mmol) in MeOH (15 mL) was added 4N HCl in 1,4-dioxane (2 mL), and the reaction was stirred at 90° C. for 2 hours. The mixture was concentrated, and the residue was purified by silica gel chromatography to give the title compound. The mixture was concentrated the residue was purified by silica gel chromatography
Source ID: ord-57f0b91e6881458fa8a9ff486027b708PubChem References
These sources are listed in the compound's public database record.
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