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C1=CC(=C(C(=C1)Br)F)CN製品情報
(3-bromo-2-fluorophenyl)methanamine (CAS 1177559-63-5) 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 12084140
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
9 反応 · 9 文献
反応条件: temp:0.00; pressure:0.00; stir:
ソース ID: ord-0b367adba9cf4cb29ae09ec3d3cf2398反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: To a solution of 3-bromo-2-fluorobenzamide (3.0 g, 13.76 mmol) in THF (50 mL) was added BH3.Me2S (1.57 mL, 20.6 mmol) and the mixture was stirred at 50° C. for 2 h (monitored by TLC). The reaction was quenched by adding HCl (20 mL, 3 N) after which the result mixture was stirred for 2 h and then THF was removed under vacuum. The aqueous layer was extracted with AcOEt (30 mL), and then was adjusted to pH=9.0 with NaOH (1 N). Then the aqueous layer was extracted with AcOEt (50 mL×2). The combined organic layers were washed with brine, dried over Na2SO4, filtered and concentrated to give 1.30 g of the title compound as a colorless oil (yield: 46%). 1H NMR (400 MHz, D2O) δ 4.30 (S, 2H), 7.19-7.22 (m, 1H), 7.47 (t, J=8.8 Hz, 1H), 7.73-7.77 (m, 1H); 13C NMR (100 MHz, D2O) δ 37.4, 108.9, 121.2, 126.2, 130.7, 135.1, 156.2, 158.6. The reaction was quenched by adding HCl (20 mL, 3 N) after which the result mixture THF was removed under vacuum The aqueous layer was extracted with AcOEt (30 mL) Then the aqueous layer was extracted with AcOEt (50 mL×2) The combined organic layers were washed with brine dried over Na2SO4 filtered concentrated
ソース ID: ord-93c843075a8b41639cf3d9df3c5a59bd反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: To a solution of 3-bromo-2-fluorobenzamide (3.0 g, 13.76 mmol) in THF (50 mL) was added BH3.Me2S (1.57 mL, 20.6 mmol) and the mixture was stirred at 50° C. for 2 h (monitored by TLC). The reaction was quenched by adding HCl (20 mL, 3 N) after which the result mixture was stirred for 2 h and then THF was removed under vacuum. The aqueous layer was extracted with AcOEt (30 mL), and then was adjusted to pH=9.0 with NaOH (1 N). Then the aqueous layer was extracted with AcOEt (50 mL×2). The combined organic layers were washed with brine, dried over Na2SO4, filtered and concentrated to give 1.30 g of the title compound as a colorless oil (yield: 46%). 1H NMR (400 MHz, D2O) δ 4.30 (S, 2H), 7.19-7.22 (m, 1H), 7.47 (t, J=8.8 Hz, 1H), 7.73-7.77 (m, 1H); 13C NMR (100 MHz, D2O) δ 37.4, 108.9, 121.2, 126.2, 130.7, 135.1, 156.2, 158.6. The reaction was quenched by adding HCl (20 mL, 3 N) after which the result mixture THF was removed under vacuum The aqueous layer was extracted with AcOEt (30 mL) Then the aqueous layer was extracted with AcOEt (50 mL×2) The combined organic layers were washed with brine dried over Na2SO4 filtered concentrated
ソース ID: ord-93c843075a8b41639cf3d9df3c5a59bd反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: To a solution of 3-bromo-2-fluorobenzamide (3.0 g, 13.76 mmol) in THF (50 mL) was added BH3.Me2S (1.57 mL, 20.6 mmol) and the mixture was stirred at 50° C. for 2 h (monitored by TLC). The reaction was quenched by adding HCl (20 mL, 3 N) after which the result mixture was stirred for 2 h and then THF was removed under vacuum. The aqueous layer was extracted with AcOEt (30 mL), and then was adjusted to pH=9.0 with NaOH (1 N). Then the aqueous layer was extracted with AcOEt (50 mL×2). The combined organic layers were washed with brine, dried over Na2SO4, filtered and concentrated to give 1.30 g of the title compound as a colorless oil (yield: 46%). 1H NMR (400 MHz, D2O) δ 4.30 (S, 2H), 7.19-7.22 (m, 1H), 7.47 (t, J=8.8 Hz, 1 H), 7.73-7.77 (m, 1H); 13C NMR (100 MHz, D2O) δ 37.4, 108.9, 121.2, 126.2, 130.7, 135.1, 156.2, 158.6. The reaction was quenched by adding HCl (20 mL, 3 N) after which the result mixture THF was removed under vacuum The aqueous layer was extracted with AcOEt (30 mL) Then the aqueous layer was extracted with AcOEt (50 mL×2) The combined organic layers were washed with brine dried over Na2SO4 filtered concentrated
ソース ID: ord-f20cc11fa83a402f8eb76aba3defb017反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: To a solution of 3-bromo-2-fluorobenzamide (3.0 g, 13.76 mmol) in THF (50 mL) was added BH3.Me2S (1.57 mL, 20.6 mmol) and stirred at 50° C. for 2 h (monitored by TLC). The reaction was quenched by adding HCl (20 mL, 3 N) and the result mixture was stirred for 2 h before THF was removed under vacuum. The aqueous layer was extracted with AcOEt (30 mL), and then was adjusted to pH=9.0 with NaOH (1 N). The aqueous layer was extracted with AcOEt (50 mL×2). The combined organic layers were washed with brine, dried over Na2SO4, filtered and concentrated to give 1.30 g of the title compound, as a colorless oil (yield: 46%). 1H NMR (400 MHz, D2O): δ 4.30 (S, 2 H), 7.19-7.22 (m, 1 H), 7.47 (t, J=8.8 Hz, 1 H), 7.73-7.77 (m, 1 H); 13C NMR (100 MHz, D2O): δ 37.4, 108.9, 121.2, 126.2, 130.7, 135.1, 156.2, 158.6. The reaction was quenched by adding HCl (20 mL, 3 N) was removed under vacuum The aqueous layer was extracted with AcOEt (30 mL) The aqueous layer was extracted with AcOEt (50 mL×2) The combined organic layers were washed with brine dried over Na2SO4 filtered concentrated
ソース ID: ord-8a420ac046aa49be843f7bcb0af779ba反応条件: temp:0.00; pressure:0.00; stir:
ソース ID: ord-0b367adba9cf4cb29ae09ec3d3cf2398反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: To a solution of 3-bromo-2-fluorobenzamide (3.0 g, 13.76 mmol) in THF (50 mL) was added BH3.Me2S (1.57 mL, 20.6 mmol) and the mixture was stirred at 50° C. for 2 h (monitored by TLC). The reaction was quenched by adding HCl (20 mL, 3 N) after which the result mixture was stirred for 2 h and then THF was removed under vacuum. The aqueous layer was extracted with AcOEt (30 mL), and then was adjusted to pH=9.0 with NaOH (1 N). Then the aqueous layer was extracted with AcOEt (50 mL×2). The combined organic layers were washed with brine, dried over Na2SO4, filtered and concentrated to give 1.30 g of the title compound as a colorless oil (yield: 46%). 1H NMR (400 MHz, D2O) δ 4.30 (S, 2H), 7.19-7.22 (m, 1H), 7.47 (t, J=8.8 Hz, 1H), 7.73-7.77 (m, 1H); 13C NMR (100 MHz, D2O) δ 37.4, 108.9, 121.2, 126.2, 130.7, 135.1, 156.2, 158.6. The reaction was quenched by adding HCl (20 mL, 3 N) after which the result mixture THF was removed under vacuum The aqueous layer was extracted with AcOEt (30 mL) Then the aqueous layer was extracted with AcOEt (50 mL×2) The combined organic layers were washed with brine dried over Na2SO4 filtered concentrated
ソース ID: ord-93c843075a8b41639cf3d9df3c5a59bd反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: To a solution of 3-bromo-2-fluorobenzamide (3.0 g, 13.76 mmol) in THF (50 mL) was added BH3.Me2S (1.57 mL, 20.6 mmol) and the mixture was stirred at 50° C. for 2 h (monitored by TLC). The reaction was quenched by adding HCl (20 mL, 3 N) after which the result mixture was stirred for 2 h and then THF was removed under vacuum. The aqueous layer was extracted with AcOEt (30 mL), and then was adjusted to pH=9.0 with NaOH (1 N). Then the aqueous layer was extracted with AcOEt (50 mL×2). The combined organic layers were washed with brine, dried over Na2SO4, filtered and concentrated to give 1.30 g of the title compound as a colorless oil (yield: 46%). 1H NMR (400 MHz, D2O) δ 4.30 (S, 2H), 7.19-7.22 (m, 1H), 7.47 (t, J=8.8 Hz, 1 H), 7.73-7.77 (m, 1H); 13C NMR (100 MHz, D2O) δ 37.4, 108.9, 121.2, 126.2, 130.7, 135.1, 156.2, 158.6. The reaction was quenched by adding HCl (20 mL, 3 N) after which the result mixture THF was removed under vacuum The aqueous layer was extracted with AcOEt (30 mL) Then the aqueous layer was extracted with AcOEt (50 mL×2) The combined organic layers were washed with brine dried over Na2SO4 filtered concentrated
ソース ID: ord-f20cc11fa83a402f8eb76aba3defb017反応条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
実験手順: To a solution of 3-bromo-2-fluorobenzamide (3.0 g, 13.76 mmol) in THF (50 mL) was added BH3.Me2S (1.57 mL, 20.6 mmol) and stirred at 50° C. for 2 h (monitored by TLC). The reaction was quenched by adding HCl (20 mL, 3 N) and the result mixture was stirred for 2 h before THF was removed under vacuum. The aqueous layer was extracted with AcOEt (30 mL), and then was adjusted to pH=9.0 with NaOH (1 N). The aqueous layer was extracted with AcOEt (50 mL×2). The combined organic layers were washed with brine, dried over Na2SO4, filtered and concentrated to give 1.30 g of the title compound, as a colorless oil (yield: 46%). 1H NMR (400 MHz, D2O): δ 4.30 (S, 2 H), 7.19-7.22 (m, 1 H), 7.47 (t, J=8.8 Hz, 1 H), 7.73-7.77 (m, 1 H); 13C NMR (100 MHz, D2O): δ 37.4, 108.9, 121.2, 126.2, 130.7, 135.1, 156.2, 158.6. The reaction was quenched by adding HCl (20 mL, 3 N) was removed under vacuum The aqueous layer was extracted with AcOEt (30 mL) The aqueous layer was extracted with AcOEt (50 mL×2) The combined organic layers were washed with brine dried over Na2SO4 filtered concentrated
ソース ID: ord-8a420ac046aa49be843f7bcb0af779baPubChem References
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