No renderable structure data available
C=CC(=O)C1=CC=CC=C1FChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 1-(2-fluorophenyl)prop-2-en-1-one |
|---|---|
| IUPAC Name | — |
| CAS Number | 89638-21-1 |
| Database ID | 18758756 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
1-(2-fluorophenyl)prop-2-en-1-one (CAS 89638-21-1) 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 18758756
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
12 reactions · 12 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-3b65f7dc35ad4d008d0f17af0cf06cf9Conditions: temp:40.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 1-(2-fluorophenyl)-prop-2-en-1-one (5.6 g, 37.3 mmol) in CH3CN (50 mL) was added (S)-1-(4-bromophenyl)-ethylamine (7.4 g, 37 mmol), and the mixture was stirred for 12 h at 40° C. The solution was concentrated to afford the crude product, which was purified by column chromatography to give (S)-3-(1-(4-bromophenyl)-ethylamino)-1-(2-fluorophenyl)-propan-1-one (4 g, yield: 30.7%) as a yellow liquid. The solution was concentrated to afford the crude product, which was purified by column chromatography
Source ID: ord-27e5ce0a27154f169fd354a601672234Conditions: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 2-fluoro-N-methoxy-N-methylbenzamide (16 g, 87.4 mmol) in THF (150 mL) was cooled to −78° C. Vinylmagnesium bromide (120 mL, 120 mmol) was slowly added, and the mixture stirred at −78° C. for 10 min, slowly warmed to rt, and stirred for another 3 h. The reaction mixture was quenched with 1 N aq HCl (100 mL) at 0° C. The aqueous layer was extracted with EtOAc (100 mL). The combined organic phase was washed with brine (50 mL), dried over Na2SO4, and concentrated. The residue was purified by column chromatography to afford 1-(2-fluorophenyl)-prop-2-en-1-one (7.6 g, yield: 58.4%) as a colorless oil. slowly warmed to rt stirred for another 3 h The reaction mixture was quenched with 1 N aq HCl (100 mL) at 0° C The aqueous layer was extracted with EtOAc (100 mL) The combined organic phase was washed with brine (50 mL) dried over Na2SO4 concentrated The residue was purified by column chromatography
Source ID: ord-0aa6e6f5f3e84abc92b1140da0dc46ebConditions: temp:40.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 1-(2-fluorophenyl)-prop-2-en-1-one (5.6 g, 37.3 mmol) in CH3CN (50 mL) was added (S)-1-(4-bromophenyl)-ethylamine (7.4 g, 37 mmol), and the mixture was stirred for 12 h at 40° C. The solution was concentrated to afford the crude product, which was purified by column chromatography to give (S)-3-(1-(4-bromophenyl)-ethylamino)-1-(2-fluorophenyl)-propan-1-one (4 g, yield: 30.7%) as a yellow liquid. The solution was concentrated to afford the crude product, which was purified by column chromatography
Source ID: ord-0890a093d86b4885a9644e9e6b7fe5ccConditions: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 2-fluoro-N-methoxy-N-methylbenzamide (16 g, 87.4 mmol) in THF (150 mL) was cooled to −78° C. Vinylmagnesium bromide (120 mL, 120 mmol) was slowly added, and the mixture stirred at −78° C. for 10 min, slowly warmed to rt, and stirred for another 3 h. The reaction mixture was quenched with 1 N aq HCl (100 mL) at 0° C. The aqueous layer was extracted with EtOAc (100 mL). The combined organic phase was washed with brine (50 mL), dried over Na2SO4, and concentrated. The residue was purified by column chromatography to afford 1-(2-fluorophenyl)-prop-2-en-1-one (7.6 g, yield: 58.4%) as a colorless oil. slowly warmed to rt stirred for another 3 h The reaction mixture was quenched with 1 N aq HCl (100 mL) at 0° C The aqueous layer was extracted with EtOAc (100 mL) The combined organic phase was washed with brine (50 mL) dried over Na2SO4 concentrated The residue was purified by column chromatography
Source ID: ord-a3bad79d26cb4c3cb0fc00db0c38a7ebConditions: temp:40.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 1-(2-fluorophenyl)-prop-2-en-1-one (5.6 g, 37.3 mmol) in CH3CN (50 mL) was added (S)-1-(4-bromophenyl)-ethylamine (7.4 g, 37 mmol), and the mixture was stirred for 12 h at 40° C. The solution was concentrated to afford the crude product, which was purified by column chromatography to give (S)-3-(1-(4-bromophenyl)-ethylamino)-1-(2-fluorophenyl)-propan-1-one (4 g, yield: 30.7%) as a yellow liquid. The solution was concentrated to afford the crude product, which was purified by column chromatography
Source ID: ord-8cae516eabdc4baaa632b020948ca11aConditions: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 2-fluoro-N-methoxy-N-methylbenzamide (16 g, 87.4 mmol) in THF (150 mL) was cooled to −78° C. Vinylmagnesium bromide (120 mL, 120 mmol) was slowly added, and the mixture stirred at −78° C. for 10 min, slowly warmed to rt, and stirred for another 3 h. The reaction mixture was quenched with 1 N aq HCl (100 mL) at 0° C. The aqueous layer was extracted with EtOAc (100 mL). The combined organic phase was washed with brine (50 mL), dried over Na2SO4, and concentrated. The residue was purified by column chromatography to afford 1-(2-fluorophenyl)-prop-2-en-1-one (7.6 g, yield: 58.4%) as a colorless oil. slowly warmed to rt stirred for another 3 h The reaction mixture was quenched with 1 N aq HCl (100 mL) at 0° C The aqueous layer was extracted with EtOAc (100 mL) The combined organic phase was washed with brine (50 mL) dried over Na2SO4 concentrated The residue was purified by column chromatography
Source ID: ord-a004043b1205498793e83b26da1a5c18Conditions: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 2-fluoro-N-methoxy-N-methylbenzamide (16 g, 87.4 mmol) in THF (150 mL) was cooled to −78° C. Vinylmagnesium bromide (120 mL, 120 mmol) was slowly added, and the mixture stirred at −78° C. for 10 min, slowly warmed to rt, and stirred for another 3 h. The reaction mixture was quenched with 1 N aq HCl (100 mL) at 0° C. The aqueous layer was extracted with EtOAc (100 mL). The combined organic phase was washed with brine (50 mL), dried over Na2SO4, and concentrated. The residue was purified by column chromatography to afford 1-(2-fluorophenyl)-prop-2-en-1-one (7.6 g, yield: 58.4%) as a colorless oil. slowly warmed to rt stirred for another 3 h The reaction mixture was quenched with 1 N aq HCl (100 mL) at 0° C The aqueous layer was extracted with EtOAc (100 mL) The combined organic phase was washed with brine (50 mL) dried over Na2SO4 concentrated The residue was purified by column chromatography
Source ID: ord-a004043b1205498793e83b26da1a5c18Conditions: temp:40.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 1-(2-fluorophenyl)-prop-2-en-1-one (5.6 g, 37.3 mmol) in CH3CN (50 mL) was added (S)-1-(4-bromophenyl)-ethylamine (7.4 g, 37 mmol), and the mixture was stirred for 12 h at 40° C. The solution was concentrated to afford the crude product, which was purified by column chromatography to give (S)-3-(1-(4-bromophenyl)-ethylamino)-1-(2-fluorophenyl)-propan-1-one (4 g, yield: 30.7%) as a yellow liquid. The solution was concentrated to afford the crude product, which was purified by column chromatography
Source ID: ord-27e5ce0a27154f169fd354a601672234Conditions: temp:40.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 1-(2-fluorophenyl)-prop-2-en-1-one (5.6 g, 37.3 mmol) in CH3CN (50 mL) was added (S)-1-(4-bromophenyl)-ethylamine (7.4 g, 37 mmol), and the mixture was stirred for 12 h at 40° C. The solution was concentrated to afford the crude product, which was purified by column chromatography to give (S)-3-(1-(4-bromophenyl)-ethylamino)-1-(2-fluorophenyl)-propan-1-one (4 g, yield: 30.7%) as a yellow liquid. The solution was concentrated to afford the crude product, which was purified by column chromatography
Source ID: ord-27e5ce0a27154f169fd354a601672234Conditions: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 2-fluoro-N-methoxy-N-methylbenzamide (16 g, 87.4 mmol) in THF (150 mL) was cooled to −78° C. Vinylmagnesium bromide (120 mL, 120 mmol) was slowly added, and the mixture stirred at −78° C. for 10 min, slowly warmed to rt, and stirred for another 3 h. The reaction mixture was quenched with 1 N aq HCl (100 mL) at 0° C. The aqueous layer was extracted with EtOAc (100 mL). The combined organic phase was washed with brine (50 mL), dried over Na2SO4, and concentrated. The residue was purified by column chromatography to afford 1-(2-fluorophenyl)-prop-2-en-1-one (7.6 g, yield: 58.4%) as a colorless oil. slowly warmed to rt stirred for another 3 h The reaction mixture was quenched with 1 N aq HCl (100 mL) at 0° C The aqueous layer was extracted with EtOAc (100 mL) The combined organic phase was washed with brine (50 mL) dried over Na2SO4 concentrated The residue was purified by column chromatography
Source ID: ord-0aa6e6f5f3e84abc92b1140da0dc46ebConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-3b65f7dc35ad4d008d0f17af0cf06cf9PubChem References
These sources are listed in the compound's public database record.
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