No renderable structure data available
CCS(=O)(=O)NC1=CC=CC=C1FChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | N-(2-fluorophenyl)ethanesulfonamide |
|---|---|
| IUPAC Name | — |
| CAS Number | 544662-80-8 |
| Database ID | 4693938 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
N-(2-fluorophenyl)ethanesulfonamide (CAS 544662-80-8) 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 4693938
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
9 reactions · 9 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-6aae0844c80448908f0cfb12eb371343Conditions: temp:70.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a mixture of (3S,5R,6S)-3-allyl-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-((S)-1-cyclopropyl-2-hydroxyethyl)-3-methylpiperidin-2-one (Example 252, Step A, 70 mg, 0.153 mmol) and N-(2-fluorophenyl)ethanesulfonamide (93 mg, 0.458 mmol) in toluene (1 ml) was added cyanomethylenetri-n-butylphosphorane (0.111 ml, 0.458 mmol) at rt and the mixture was flushed with N2 for about 20 minutes. The reaction was sealed and heated to 70° C. overnight. The reaction mixture was purified by flash chromatography on silica gel (eluent: 0% to 35% EtOAc/hexanes) to provide the title compound as a solid. the mixture was flushed with N2 for about 20 minutes The reaction was sealed The reaction mixture was purified by flash chromatography on silica gel (eluent: 0% to 35% EtOAc/hexanes)
Source ID: ord-a49b244634164e3ab65a19c9aad3d110Conditions: temp:50.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of ethanesulfonyl chloride (0.368 ml, 3.89 mmol) in DCM (1 ml) and pyridine (1 ml) was added 2-fluoroaniline (0.360 ml, 3.89 mmol) at rt and the reaction was stirred at 50° C. for 5 hours. The reaction was then stirred at rt overnight. The reaction was diluted with EtOAc and washed with H2O and sat. NaCl solution. The organic layer was dried over Na2SO4 and concentrated. Purification of the residue by flash chromatography on silica gel (eluent: 0% to 35% EtOAc/hexane) provided the title compound as a white solid. The reaction was then stirred at rt overnight washed with H2O and sat. NaCl solution The organic layer was dried over Na2SO4 concentrated Purification of the residue by flash chromatography on silica gel (eluent: 0% to 35% EtOAc/hexane)
Source ID: ord-80c8d63a980346e59d171edf7501e6a3Conditions: temp:70.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a mixture of (3S,5R,6S)-3-allyl-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-((S)-1-cyclopropyl-2-hydroxyethyl)-3-methylpiperidin-2-one (Example 252, Step A, 70 mg, 0.153 mmol) and N-(2-fluorophenyl)ethanesulfonamide (93 mg, 0.458 mmol) in toluene (1 ml) was added cyanomethylenetri-n-butylphosphorane (0.111 ml, 0.458 mmol) at rt and the mixture was flushed with N2 for about 20 minutes. The reaction was sealed and heated to 70° C. overnight. The reaction mixture was purified by flash chromatography on silica gel (eluent: 0% to 35% EtOAc/hexanes) to provide the title compound as a solid. the mixture was flushed with N2 for about 20 minutes The reaction was sealed The reaction mixture was purified by flash chromatography on silica gel (eluent: 0% to 35% EtOAc/hexanes)
Source ID: ord-2c93143de6fa466a8873bc4221af2809Conditions: temp:50.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of ethanesulfonyl chloride (0.368 ml, 3.89 mmol) in DCM (1 ml) and pyridine (1 ml) was added 2-fluoroaniline (0.360 ml, 3.89 mmol) at rt and the reaction was stirred at 50° C. for 5 hours. The reaction was then stirred at rt overnight. The reaction was diluted with EtOAc and washed with H2O and sat. NaCl solution. The organic layer was dried over Na2SO4 and concentrated. Purification of the residue by flash chromatography on silica gel (eluent: 0% to 35% EtOAc/hexane) provided the title compound as a white solid. The reaction was then stirred at rt overnight washed with H2O and sat. NaCl solution The organic layer was dried over Na2SO4 concentrated Purification of the residue by flash chromatography on silica gel (eluent: 0% to 35% EtOAc/hexane)
Source ID: ord-14ecb425d14c4641893dbcdac1ff90e2Conditions: temp:70.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a mixture of (3S,5R,6S)-3-allyl-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-((S)-1-cyclopropyl-2-hydroxyethyl)-3-methylpiperidin-2-one (Example 252, Step A, 70 mg, 0.153 mmol) and N-(2-fluorophenyl)ethanesulfonamide (93 mg, 0.458 mmol) in toluene (1 ml) was added cyanomethylenetri-n-butylphosphorane (0.111 ml, 0.458 mmol) at rt and the mixture was flushed with N2 for about 20 minutes. The reaction was sealed and heated to 70° C. overnight. The reaction mixture was purified by flash chromatography on silica gel (eluent: 0% to 35% EtOAc/hexanes) to provide the title compound as a solid. the mixture was flushed with N2 for about 20 minutes The reaction was sealed The reaction mixture was purified by flash chromatography on silica gel (eluent: 0% to 35% EtOAc/hexanes)
Source ID: ord-a49b244634164e3ab65a19c9aad3d110Conditions: temp:50.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of ethanesulfonyl chloride (0.368 ml, 3.89 mmol) in DCM (1 ml) and pyridine (1 ml) was added 2-fluoroaniline (0.360 ml, 3.89 mmol) at rt and the reaction was stirred at 50° C. for 5 hours. The reaction was then stirred at rt overnight. The reaction was diluted with EtOAc and washed with H2O and sat. NaCl solution. The organic layer was dried over Na2SO4 and concentrated. Purification of the residue by flash chromatography on silica gel (eluent: 0% to 35% EtOAc/hexane) provided the title compound as a white solid. The reaction was then stirred at rt overnight washed with H2O and sat. NaCl solution The organic layer was dried over Na2SO4 concentrated Purification of the residue by flash chromatography on silica gel (eluent: 0% to 35% EtOAc/hexane)
Source ID: ord-80c8d63a980346e59d171edf7501e6a3Conditions: temp:70.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a mixture of (3S,5R,6S)-3-allyl-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-((S)-1-cyclopropyl-2-hydroxyethyl)-3-methylpiperidin-2-one (Example 252, Step A, 70 mg, 0.153 mmol) and N-(2-fluorophenyl)ethanesulfonamide (93 mg, 0.458 mmol) in toluene (1 ml) was added cyanomethylenetri-n-butylphosphorane (0.111 ml, 0.458 mmol) at rt and the mixture was flushed with N2 for about 20 minutes. The reaction was sealed and heated to 70° C. overnight. The reaction mixture was purified by flash chromatography on silica gel (eluent: 0% to 35% EtOAc/hexanes) to provide the title compound as a solid. the mixture was flushed with N2 for about 20 minutes The reaction was sealed The reaction mixture was purified by flash chromatography on silica gel (eluent: 0% to 35% EtOAc/hexanes)
Source ID: ord-2c93143de6fa466a8873bc4221af2809Conditions: temp:50.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of ethanesulfonyl chloride (0.368 ml, 3.89 mmol) in DCM (1 ml) and pyridine (1 ml) was added 2-fluoroaniline (0.360 ml, 3.89 mmol) at rt and the reaction was stirred at 50° C. for 5 hours. The reaction was then stirred at rt overnight. The reaction was diluted with EtOAc and washed with H2O and sat. NaCl solution. The organic layer was dried over Na2SO4 and concentrated. Purification of the residue by flash chromatography on silica gel (eluent: 0% to 35% EtOAc/hexane) provided the title compound as a white solid. The reaction was then stirred at rt overnight washed with H2O and sat. NaCl solution The organic layer was dried over Na2SO4 concentrated Purification of the residue by flash chromatography on silica gel (eluent: 0% to 35% EtOAc/hexane)
Source ID: ord-14ecb425d14c4641893dbcdac1ff90e2PubChem References
These sources are listed in the compound's public database record.
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