No renderable structure data available
CC1=C(C(=CC=C1)C)NC(=O)CCBrChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 3-bromo-N-(2,6-dimethylphenyl)propanamide |
|---|---|
| IUPAC Name | — |
| CAS Number | 53984-77-3 |
| Database ID | 2781531 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
3-bromo-N-(2,6-dimethylphenyl)propanamide (CAS 53984-77-3) 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 2781531
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
11 reactions · 11 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-000facd525634aa797ea846205de1eaeConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-5b7c44a3c012440fba85f9c07930fcd8Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-000facd525634aa797ea846205de1eaeConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-5b7c44a3c012440fba85f9c07930fcd8Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a mixture of N-(2,6-dimethylphenyl)-3-bromopropanamide (1 g, 4.5 mmol) and N-carbobenzyloxypiperazine (1.7 g, 6.8 mmol) in 10 mL of acetone was added potassium carbonate (0.93 g, 6.8 mmol). The mixture was refluxed for 24 hours. The mixture was filtered, and the solvent was removed from the filtrate under reduced pressure. The residue was purified using column chromatography, to provide N-(2,6-dimethylphenyl)-3-(4-carbobenzyloxypiperazinyl)propanamide, a compound of formula (3). The mixture was refluxed for 24 hours The mixture was filtered the solvent was removed from the filtrate under reduced pressure The residue was purified
Source ID: ord-8f08bc850bae4f1bb3740bfc05b08609Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a mixture of N-(2,6-dimethylphenyl)-3-bromopropanamide (1 g, 4.5 mmol) and N-carbobenzyloxypiperazine (1.7 g, 6.8 mmol) in 10 mL of acetone was added potassium carbonate (0.93 g, 6.8 mmol). The mixture was refluxed for 24 hours. The mixture was filtered, and the solvent was removed from the filtrate under reduced pressure. The residue was purified using column chromatography, to provide N-(2,6-dimethylphenyl)-3-(4-carbobenzyloxypiperazinyl)propanamide, a compound of formula (3). The mixture was refluxed for 24 hours The mixture was filtered the solvent was removed from the filtrate under reduced pressure The residue was purified
Source ID: ord-8f08bc850bae4f1bb3740bfc05b08609Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a mixture of N-(2,6-dimethylphenyl)-3-bromopropanamide (1 g, 4.5 mmol) and N-carbobenzyloxypiperazine (1.7 g, 6.8 mmol) in 10 mL of acetone was added potassium carbonate (0.93 g, 6.8 mmol). The mixture was refluxed for 24 hours. The mixture was filtered, and the solvent was removed from the filtrate under reduced pressure. The residue was purified using column chromatography, to provide N-(2,6-dimethylphenyl)-3-(4-carbobenzyloxypiperazinyl)propanamide, a compound of formula (3). The mixture was refluxed for 24 hours The mixture was filtered the solvent was removed from the filtrate under reduced pressure The residue was purified
Source ID: ord-8f08bc850bae4f1bb3740bfc05b08609Conditions: temp:0.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a mixture of 2,6-dimethylaniline (2 g, 16.5 mmol), diethyl ether, and aqueous saturated sodium bicarbonate (50:50 v/v) was added dropwise 3-bromopropionoyl chloride (2 g, 19.8 mm) in ether (5 mL). The mixture was allowed to stir at 0° C. for 2 hours, and at room temperature for an additional 1 hour. The organic layer was washed with 10% citric acid, dried over MgSO4, then filtered. The solvent was evaporated to afford N-(2,6-dimethylphenyl)-3-bromopropanamide, a compound of formula (1), as a white solid. at room temperature for an additional 1 hour The organic layer was washed with 10% citric acid dried over MgSO4 filtered The solvent was evaporated
Source ID: ord-dae1cce638ef4d498ced7bbad09384efConditions: temp:0.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a mixture of 2,6-dimethylaniline (2 g, 16.5 mmol), diethyl ether, and aqueous saturated sodium bicarbonate (50:50 v/v) was added dropwise 3-bromopropionoyl chloride (2 g, 19.8 mm) in ether (5 mL). The mixture was allowed to stir at 0° C. for 2 hours, and at room temperature for an additional 1 hour. The organic layer was washed with 10% citric acid, dried over MgSO4, then filtered. The solvent was evaporated to afford N-(2,6-dimethylphenyl)-3-bromopropanamide, a compound of formula (1), as a white solid. at room temperature for an additional 1 hour The organic layer was washed with 10% citric acid dried over MgSO4 filtered The solvent was evaporated
Source ID: ord-dae1cce638ef4d498ced7bbad09384efConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a mixture of N-(2,6-dimethylphenyl)-3-bromopropanamide (1 g, 4.5 mmol) and N-carbobenzyloxypiperazine (1,7 g, 6.8 mmol) in 10mL of acetone was added potassium carbonate (0.93 g, 6.8 mmol). The mixture was refluxed for 24 hours. The mixture was filtered, and the solvent was removed from the filtrate under reduced pressure. The residue was purified using column chromatography, to provide N-(2,6-dimethylphenyl)-3-(4-carbobenzyloxypiperazinyl)propanamide, a compound of formula (3). B. To N-(2,6dimethylphenyl)-3-(4carbobenzyloxypiperanzinyl)propanamide (1.3 g) in 10 mL of methanol was added 10% Pd/C, and the mixture was hydrogenated at 30 psi for 24 hours. The mixture was filtered, and the solvent was removed from the filtrate under reduced pressure, to afford N-(2,6-dimethylphenyl)-3-piperazinylpropanamide, a compound of formula (4),which was used without further purification. C. A mixture of N-(2,6dimethylphenyl)-3-piperazinylpropanamide (0.15 g, 0.57 mmol) and 2-methyl-5-(oxiran-2-ylmethoxy)benzothiazole (0.127 g, 0.57 mmol) in 8 mL of ethanol was refluxed for 24 hours. The solvent was removed under reduced pressure, and the residue was purified using preparative TLC. The mixture was refluxed for 24 hours The mixture was filtered the solvent was removed from the filtrate under reduced pressure The residue was purified
Source ID: ord-d976f8e3d1ad4249964f800bd2c96a9aConditions: temp:0.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a mixture of 2,6-dimethylaniline (2 g, 16.5 mmol), diethyl ether, and aqueous saturated sodium bicarbonate (50:50 v/v) was added dropwise 3-bromopropionoyl chloride (2 g, 19.8 mm) in ether (5 mL). The mixture was allowed to stir at 0° C. for 2 hours, and at room temperature for an additional 1 hour. The organic layer was washed with 10% citric acid, dried over MgSO4, then filtered. The solvent was evaporated to afford N-(2,6-dimethylphenyl)-3-bromopropanamide, a compound of formula (1), as a white solid. at room temperature for an additional 1 hour The organic layer was washed with 10% citric acid dried over MgSO4 filtered The solvent was evaporated
Source ID: ord-bfc0dbbabf254214b3f96b09afb73852PubChem References
These sources are listed in the compound's public database record.
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