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C1C(=O)NC2=CC(=C(C=C2N1)Br)F製品情報
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.
想定用途
専門的研究・工業用途限定
データベース ID 10060406
安全上の注意
For professional research and industrial use only. Review the supplier safety data sheet before handling.
合成データ
8 反応 · 8 文献
反応条件: temp:0.00; pressure:0.00; stir:
ソース ID: ord-f4d07fc2c58c49909056aba9940b8913反応条件: temp:0.00; pressure:0.00; stir:
ソース ID: ord-f4d07fc2c58c49909056aba9940b8913反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: 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%
ソース ID: ord-df697c7578b34769afe1147c9ed2c1de反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: 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%
ソース ID: ord-df697c7578b34769afe1147c9ed2c1de反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: 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%)
ソース ID: ord-b5c83dead65749e0943377f8a0fb3107反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: 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
ソース ID: ord-15e37d10d88148d9bb4bb35e4f153e2c反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: 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
ソース ID: ord-42f9150c6f5646a1898afbd28ce0e82f反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: 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%
ソース ID: ord-df697c7578b34769afe1147c9ed2c1dePubChem References
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