No renderable structure data available
C1C(=O)NC2=CC(=C(C=C2N1)Br)FChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 6-Bromo-7-fluoro-3,4-dihydroquinoxalin-2(1H)-one |
|---|---|
| IUPAC Name | — |
| CAS Number | 167415-29-4 |
| Database ID | 10060406 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
6-Bromo-7-fluoro-3,4-dihydroquinoxalin-2(1H)-one (CAS 167415-29-4) 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 10060406
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
8 reactions · 8 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-f4d07fc2c58c49909056aba9940b8913Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-f4d07fc2c58c49909056aba9940b8913Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of N-(5′-bromo-4′-fluoro-2′-nitrophenyl)glycine sodium salt (0.450 g, 1.54 mmol, as prepared above) and tin (II) chloride dihydrate (1.039 g, 4.605 mmol, Aldrich, used as received) in ethanol (7.0 mL) was refluxed for 30 min. It was then cooled to room temperature and solvent was removed under vacuum. The residue was diluted with water (15.0 mL) and basified with 10% Na2CO3 to pH ˜8. The resulting suspension was extracted with ethyl acetate (100 mL). The ethyl acetate was dried over anhydrous NaSO4 and removed under vacuum to yield 0.241 g (64%;)of the title compound as a yellow powder, m.p. 214-216° C.; 1H NMR (DMSO-d6): δ 3.684 (s, 2H), 6.062 (s, 1H), 6.631 (d, 1H, J=9.3 Hz), 6.825 (d, 1H, J=6.6 Hz), 10.303 (s, 1H). solvent was removed under vacuum The residue was diluted with water (15.0 mL) The resulting suspension was extracted with ethyl acetate (100 mL) The ethyl acetate was dried over anhydrous NaSO4 removed under vacuum to yield 0.241 g (64%
Source ID: ord-df697c7578b34769afe1147c9ed2c1deConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of N-(5′-bromo-4′-fluoro-2′-nitrophenyl)glycine sodium salt (0.450 g, 1.54 mmol, as prepared above) and tin (II) chloride dihydrate (1.039 g, 4.605 mmol, Aldrich, used as received) in ethanol (7.0 mL) was refluxed for 30 min. It was then cooled to room temperature and solvent was removed under vacuum. The residue was diluted with water (15.0 mL) and basified with 10% Na2CO3 to pH ˜8. The resulting suspension was extracted with ethyl acetate (100 mL). The ethyl acetate was dried over anhydrous NaSO4 and removed under vacuum to yield 0.241 g (64%;)of the title compound as a yellow powder, m.p. 214-216° C.; 1H NMR (DMSO-d6): δ 3.684 (s, 2H), 6.062 (s, 1H), 6.631 (d, 1H, J=9.3 Hz), 6.825 (d, 1H, J=6.6 Hz), 10.303 (s, 1H). solvent was removed under vacuum The residue was diluted with water (15.0 mL) The resulting suspension was extracted with ethyl acetate (100 mL) The ethyl acetate was dried over anhydrous NaSO4 removed under vacuum to yield 0.241 g (64%
Source ID: ord-df697c7578b34769afe1147c9ed2c1deConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of N-(5'-bromo-4'-fluoro-2'-nitrophenyl)glycine sodium salt (0.450 g, 1.54 mmol, as prepared above) and tin (II) chloride dihydrate (1.039 g, 4.605 mmol, Aldrich, used as received) in ethanol (7.0 mL) was refluxed for 30 min. It was then cooled to room temperature and solvent was removed under vacuum. The residue was diluted with water (15.0 mL) and basified with 10% Na2CO3 to pH~8. The resulting suspension was extracted with ethyl acetate (100 mL). The ethyl acetate was dried over anhydrous Na2SO4 and removed under vacuum to yield 0.241 g (64%).of the title compound as a yellow powder, m.p. 214-216° C.; 1H NMR (DMSO-d6): δ 3.684 (s, 2H), 6.062 (s, 1H), 6.631 (d, 1H, J=9.3 Hz), 6.825 (d, 1H, J=6.6 Hz), 10.303 (s, 1H). solvent was removed under vacuum The residue was diluted with water (15.0 mL) The resulting suspension was extracted with ethyl acetate (100 mL) The ethyl acetate was dried over anhydrous Na2SO4 removed under vacuum to yield 0.241 g (64%)
Source ID: ord-b5c83dead65749e0943377f8a0fb3107Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: N-(5'-bromo-4'-fluoro-2'-nitrophenyl)glycine sodium salt (0.450 g, 1.54 mmol, as prepared above) and tin (II) chloride dihydrate (1.039 g, 4.605 mmol, Aldrich, used as received) in ethanol (7.0 mL) was refluxed for 30 min. It was then cooled to room temperature and solvent was removed under vacuum. The residue was diluted with water (15.0 mL) and basified with 10% Na2CO3 to pH ~8. The resulting suspension was extracted with ethyl acetate (100 mL). The ethyl acetate was dried over anhydrous Na2SO4 and removed under vacuum to yield 0.241 g (64%) of the title compound as a yellow powder, m.p. 214°-216° C.; 1H NMR (DMSO-d6): δ3.684 (s, 2H), 6.062 (s, 1H), 6.631 (d, 1H, J=9.3 Hz), 6.825 (d, 1H, J=6.6 Hz), 10.303 (s, 1H). solvent was removed under vacuum The residue was diluted with water (15.0 mL) The resulting suspension was extracted with ethyl acetate (100 mL) The ethyl acetate was dried over anhydrous Na2SO4 removed under vacuum
Source ID: ord-15e37d10d88148d9bb4bb35e4f153e2cConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of N-(5'-bromo-4'-fluoro-2'-nitrophenyl)glycine sodium salt (0.450 g, 1.54 mmol, as prepared above) and tin (II) chloride dihydrate (1.039 g, 4.605 mmol, Aldrich, used as received) in ethanol (7.0 mL) was refluxed for 30 min. It was then cooled to room temperature and solvent was removed under vacuum. The residue was diluted with water (15.0 mL) and basified with 10% Na2CO3 to pH~8. The resulting suspension was extracted with ethyl acetate (100 mL). The ethyl acetate was dried over anhydrous Na2SO4 and removed under vacuum to yield 0.241 g (64%) of the title compound as a yellow powder, m.p. 214-216° C.; 1H NMR (DMSO-d6): δ 3.684 (s, 2H), 6.062 (s, 1H), 6.631 (d, 1H, J=9.3 Hz), 6.825 (d, 1H, J=6.6 Hz), 10.303 (s, 1H). solvent was removed under vacuum The residue was diluted with water (15.0 mL) The resulting suspension was extracted with ethyl acetate (100 mL) The ethyl acetate was dried over anhydrous Na2SO4 removed under vacuum
Source ID: ord-42f9150c6f5646a1898afbd28ce0e82fConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of N-(5′-bromo-4′-fluoro-2′-nitrophenyl)glycine sodium salt (0.450 g, 1.54 mmol, as prepared above) and tin (II) chloride dihydrate (1.039 g, 4.605 mmol, Aldrich, used as received) in ethanol (7.0 mL) was refluxed for 30 min. It was then cooled to room temperature and solvent was removed under vacuum. The residue was diluted with water (15.0 mL) and basified with 10% Na2CO3 to pH ˜8. The resulting suspension was extracted with ethyl acetate (100 mL). The ethyl acetate was dried over anhydrous NaSO4 and removed under vacuum to yield 0.241 g (64%;)of the title compound as a yellow powder, m.p. 214-216° C.; 1H NMR (DMSO-d6): δ 3.684 (s, 2H), 6.062 (s, 1H), 6.631 (d, 1H, J=9.3 Hz), 6.825 (d, 1H, J=6.6 Hz), 10.303 (s, 1H). solvent was removed under vacuum The residue was diluted with water (15.0 mL) The resulting suspension was extracted with ethyl acetate (100 mL) The ethyl acetate was dried over anhydrous NaSO4 removed under vacuum to yield 0.241 g (64%
Source ID: ord-df697c7578b34769afe1147c9ed2c1dePubChem References
These sources are listed in the compound's public database record.
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