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C1C(=O)NC2=CC(=C(C=C2N1)F)Cl製品情報
7-chloro-6-fluoro-3,4-dihydro-1H-quinoxalin-2-one (CAS 170099-02-2) 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 10465412
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
12 反応 · 12 文献
反応条件: temp:0.00; pressure:0.00; stir:
ソース ID: ord-dfb4ac9ca7204e79a1ae4c27ed7b5da7反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: A suspension of N-(4′-chloro-5′-fluoro-2′-nitrophenyl)glycine sodium salt and N-(2′-chloro-5′-fluoro-4′-nitrophenyl)glycine sodium salt (0. 175 g, 0.704 mmol) and tin (II) chloride dihydrate (0.475 g, 2.11 mmol) in ethanol (3.5 mL) was refluxed for 30 min. It was then cooled to room temperature and the solvent was removed under vacuum. The residue was diluted with water (10 mL) and the pH was adjusted with saturated NaHCO3 (3.0 mL) to pH 8. The resulting white suspension was extracted with ethyl acetate (30 mL). The ethyl acetate was dried over anhydrous Na2SO4 and removed under vacuum to yield 0.041 g (29%) pure (1H NMR) title compound as a light yellow powder; mp 217-219° C. (dec); 1H NMR (DMSO-d6) δ 3.75 (s, 2H), 6.37 (s, 1H), 6.59 (d, 1H, J=10.5 Hz), 6.74 (d, 1H, J=7.2 Hz), 10.33 (s, 1H). was refluxed for 30 min the solvent was removed under vacuum The residue was diluted with water (10 mL) The resulting white suspension was extracted with ethyl acetate (30 mL) The ethyl acetate was dried over anhydrous Na2SO4 removed under vacuum
ソース ID: ord-5ae210ac5add455b97c98ae08b73ffef反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: A suspension of N-(4′-chloro-5′-fluoro-2′-nitrophenyl)glycine sodium salt and N-(2′-chloro-5′-fluoro-4′-nitrophenyl)glycine sodium salt (0. 175 g, 0.704 mmol) and tin (II) chloride dihydrate (0.475 g, 2.11 mmol) in ethanol (3.5 mL) was refluxed for 30 min. It was then cooled to room temperature and the solvent was removed under vacuum. The residue was diluted with water (10 mL) and the pH was adjusted with saturated NaHCO3 (3.0 mL) to pH 8. The resulting white suspension was extracted with ethyl acetate (30 mL). The ethyl acetate was dried over anhydrous Na2SO4 and removed under vacuum to yield 0.041 g (29%) pure (1H NMR) title compound as a light yellow powder; mp 217-219° C. (dec); 1H NMR (DMSO-d6) δ 3.75 (s, 2H), 6.37 (s, 1H), 6.59 (d, 1H, J=10.5 Hz), 6.74 (d, 1H, J=7.2 Hz), 10.33 (s, 1H). was refluxed for 30 min the solvent was removed under vacuum The residue was diluted with water (10 mL) The resulting white suspension was extracted with ethyl acetate (30 mL) The ethyl acetate was dried over anhydrous Na2SO4 removed under vacuum
ソース ID: ord-5ae210ac5add455b97c98ae08b73ffef反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: A solution of a mixture of N-(4′-chloro-5′-fluoro-2′-nitrophenyl)glycine sodium salt and N-(2′-chloro-5′-fluoro-4′-nitrophenyl)glycine sodium salt (0.175 g, 0.704 mmol, as prepared above) and tin (II) chloride dihydrate (0.475 g, 2.11 mmol, Aldrich, used as received) in ethanol (3.5 mL) was refluxed for 30 min. It was then cooled to room temperature and the solvent was removed under vacuum. The residue was diluted with water (10 mL) and basified with saturated NaHCO3 (3.0 mL) to pH ˜8. The resulting white suspension was extracted with ethyl acetate (30 mL). The ethyl acetate was dried over anhydrous Na2SO4 and removed under vacuum to yield 0.041 g (29%) of the pure (1H NMR) title compound as a light yellow powder; m.p. 217-219° C. (decomposed); 1H NMR (DMSO-d6): δ 3.745 (s, 2H), 6.37 (s, 1H), 6.587 (d, 1H, J=10.5 Hz), 6.741 (d, 1H, J=7.2 Hz), 10.331 (s, 1H). was refluxed for 30 min the solvent was removed under vacuum The residue was diluted with water (10 mL) The resulting white suspension was extracted with ethyl acetate (30 mL) The ethyl acetate was dried over anhydrous Na2SO4 removed under vacuum
ソース ID: ord-e9acf39689444f0e9425fb55f6028068反応条件: temp:0.00; pressure:0.00; stir:
ソース ID: ord-dfb4ac9ca7204e79a1ae4c27ed7b5da7反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: A suspension of N-(4'-chloro-5'-fluoro-2'-nitrophenyl)glycine sodiumsaltand N-(2'-chloro-5'-fluoro-4'-nitrophenyl)glycine sodium salt (0.175 g, 0.704 mmol) and tin (II) chloride dihydrate (0.475 g, 2.11 mmol) in ethanol (3.5 mL) was refluxed for 30 min. It was then cooled to room temperature and the solvent was removed under vacuum. The residue was diluted with water (10 mL) and the pH was adjusted with saturated NaHCO3 (3.0 mL) to pH~8. The resulting white suspension was extracted with ethyl acetate (30 mL). The ethyl acetate was dried over anhydrous Na2SO4 and removed under vacuum to yield 0.041 g (29%) pure (1H NMR) title compound as a light yellow powder; mp 217-219° C. (dec); 1H NMR (DMSO-d6) δ 3.75 (s, 2H), 6.37 (s, 1H), 6.59 (d, 1H, J=10.5 Hz), 6.74 (d, 1H, J=7.2 Hz), 10.33 (s, 1H). was refluxed for 30 min the solvent was removed under vacuum The residue was diluted with water (10 mL) The resulting white suspension was extracted with ethyl acetate (30 mL) The ethyl acetate was dried over anhydrous Na2SO4 removed under vacuum
ソース ID: ord-b6607ccd50e346879e05c01698bbc4bc反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: A solution of a mixture of N-(4'-chloro-5'-fluoro-2'-nitrophenyl)glycine sodium salt and N-(2'-chloro-5'-fluoro-4'-nitrophenyl)glycine sodium salt (0.175 g, 0.704 mmol, as prepared above) and tin (II) chloride dihydrate (0.475 g, 2.11 mmol, Aldrich, used as received) in ethanol (3.5 mL) was refluxed for 30 min. It was then cooled to room temperature and the solvent was removed under vacuum. The residue was diluted with water (10 mL) and basified with saturated NaHCO3 (3.0 mL) to pH~8. The resulting white suspension was extracted with ethyl acetate (30 mL). The ethyl acetate was dried over anhydrous Na2SO4 and removed under vacuum to yield 0.041 g (29%) of the pure (1H NMR) title compound as a light yellow powder; m.p. 217-219° C. (decomposed); 1H NMR (DMSO-d6): δ 3.745 (s, 2H), 6.37 (s, 1H), 6.587 (d, 1H, J=10.5 Hz), 6.741 (d, 1H, J=7.2 Hz), 10.331 (s, 1H). was refluxed for 30 min the solvent was removed under vacuum The residue was diluted with water (10 mL) The resulting white suspension was extracted with ethyl acetate (30 mL) The ethyl acetate was dried over anhydrous Na2SO4 removed under vacuum
ソース ID: ord-75097eb2687a499ba23e6d3a8ce9f91a反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: A suspension of N-(4'-chloro-5'-fluoro-2'-nitrophenyl)glycine sodium salt and N-(2'-chloro-5'-fluoro-4'-nitrophenyl)glycine sodium salt (0.175 g, 0.704 mmol) and tin (II) chloride dihydrate (0.475 g, 2.11 mmol) in ethanol (3.5 mL) was refluxed for 30 min. It was then cooled to room temperature and the solvent was removed under vacuum. The residue was diluted with water (10 mL) and the pH was adjusted with saturated NaHCO3 (3.0 mL) to pH ~8. The resulting white suspension was extracted with ethyl acetate (30 mL). The ethyl acetate was dried over anhydrous Na2SO4 and removed under vacuum to yield 0.041 g (29%) pure (1H NMR) title compound as a light yellow powder; mp 217°-219° C. (dec); 1H NMR (DMSO-d6) δ3.75 (s, 2H), 6.37 (s, 1H), 6.59 (d, 1H, J=10.5 Hz), 6.74 (d, 1H, J=7.2 Hz), 10.33 (s, 1H). was refluxed for 30 min the solvent was removed under vacuum The residue was diluted with water (10 mL) The resulting white suspension was extracted with ethyl acetate (30 mL) The ethyl acetate was dried over anhydrous Na2SO4 removed under vacuum
ソース ID: ord-ad05905abd7d40db96cb11b9e5771e2e反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: A solution of a mixture of N-(4'-chloro-5'-fluoro-2'-nitrophenyl)glycine sodium salt and N-(2'-chloro-5'-fluoro-4'-nitrophenyl)glycine sodium salt (0.175 g, 0.704 mmol, as prepared above) and tin (II) chloride dihydrate (0.475 g, 2.11 mmol, Aldrich, used as received) in ethanol (3.5 mL) was refluxed for 30 min. It was then cooled to room temperature and the solvent was removed under vacuum. The residue was diluted with water (10 mL) and basified with saturated NaHCO3 (3.0 mL) to pH ~8. The resulting white suspension was extracted with ethyl acetate (30 mL). The ethyl acetate was dried over anhydrous Na2SO4 and removed under vacuum to yield 0.041 g (29%) of the pure (1H NMR) title compound as a light yellow powder; m.p. 217°-219° C. (decomposed); 1H NMR (DMSO-d6): δ3.745 (s, 2H), 6.37 (s, 1H), 6.587 (d, 1H, J=10.5 Hz), 6.741 (d, 1H, J=7.2 Hz), 10.331 (s, 1H). was refluxed for 30 min the solvent was removed under vacuum The residue was diluted with water (10 mL) The resulting white suspension was extracted with ethyl acetate (30 mL) The ethyl acetate was dried over anhydrous Na2SO4 removed under vacuum
ソース ID: ord-b0b95af2a07c4e2ba77f3872c698d610反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: A suspension of N-(4'-chloro-5'-fluoro-2'-nitrophenyl)glycine sodium salt and N-(2'-chloro-5'-fluoro-4'-nitrophenyl)glycine sodium salt (0.175 g, 0.704 mmol) and tin (II) chloride dihydrate (0.475 g, 2.11 mmol) in ethanol (3.5 mL) was refluxed for 30 min. It was then cooled to room temperature and the solvent was removed under vacuum. The residue was diluted with water (10 mL) and the pH was adjusted with saturated NaHCO3 (3.0 mL) to pH~8. The resulting white suspension was extracted with ethyl acetate (30 mL). The ethyl acetate was dried over anhydrous Na2SO4 and removed under vacuum to yield 0.041 g (29%) pure (1H NMR) title compound as a light yellow powder; mp 217-219° C. (dec); 1H NMR (DMSO-d6) δ 3.75 (s, 2H), 6.37 (s, 1H), 6.59 (d, 1H, J=10.5 Hz), 6.74 (d, 1H, J=7.2 Hz), 10.33 (s, 1H). was refluxed for 30 min the solvent was removed under vacuum The residue was diluted with water (10 mL) The resulting white suspension was extracted with ethyl acetate (30 mL) The ethyl acetate was dried over anhydrous Na2SO4 removed under vacuum
ソース ID: ord-200f61d544194b6ab96ece3f896c4bff反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: A solution of a mixture of N-(4'-chloro-5'-fluoro-2'-nitrophenyl)glycine sodium salt and N-(2'-chloro-5'-fluoro-4'-nitrophenyl)glycine sodium salt (0.175 g, 0.704 mmol, as prepared above) and tin (II) chloride dihydrate (0.475 g, 2.11 mmol, Aldrich, used as received) in ethanol (3.5 mL) was refluxed for 30 min. It was then cooled to room temperature and the solvent was removed under vacuum. The residue was diluted with water (10 mL) and basified with saturated NaHCO3 (3.0 mL) to pH~8. The resulting white suspension was extracted with ethyl acetate (30 mL). The ethyl acetate was dried over anhydrous Na2SO4 and removed under vacuum to yield 0.041 g (29%) of the pure (1H NMR) title compound as a light yellow powder; m.p. 217-219° C. (decomposed); 1H NMR (DMSO-d6): δ 3.745 (s, 2H), 6.37 (s, 1H), 6.587 (d, 1H, J=10.5 Hz), 6.741 (d, 1H, J=7.2 Hz), 10.331 (s, 1H). was refluxed for 30 min the solvent was removed under vacuum The residue was diluted with water (10 mL) The resulting white suspension was extracted with ethyl acetate (30 mL) The ethyl acetate was dried over anhydrous Na2SO4 removed under vacuum
ソース ID: ord-676154ab390f46e498505238e81845ec反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: A suspension of N-(4′-chloro-5′-fluoro-2′-nitrophenyl)glycine sodium salt and N-(2′-chloro-5′-fluoro-4′-nitrophenyl)glycine sodium salt (0. 175 g, 0.704 mmol) and tin (II) chloride dihydrate (0.475 g, 2.11 mmol) in ethanol (3.5 mL) was refluxed for 30 min. It was then cooled to room temperature and the solvent was removed under vacuum. The residue was diluted with water (10 mL) and the pH was adjusted with saturated NaHCO3 (3.0 mL) to pH 8. The resulting white suspension was extracted with ethyl acetate (30 mL). The ethyl acetate was dried over anhydrous Na2SO4 and removed under vacuum to yield 0.041 g (29%) pure (1H NMR) title compound as a light yellow powder; mp 217-219° C. (dec); 1H NMR (DMSO-d6) δ 3.75 (s, 2H), 6.37 (s, 1H), 6.59 (d, 1H, J=10.5 Hz), 6.74 (d, 1H, J=7.2 Hz), 10.33 (s, 1H). was refluxed for 30 min the solvent was removed under vacuum The residue was diluted with water (10 mL) The resulting white suspension was extracted with ethyl acetate (30 mL) The ethyl acetate was dried over anhydrous Na2SO4 removed under vacuum
ソース ID: ord-5ae210ac5add455b97c98ae08b73ffefPubChem References
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