No renderable structure data available
CN(C)C(=O)C1=CC(=C(C=C1)N)FChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 4-amino-3-fluoro-N,N-dimethylbenzamide |
|---|---|
| IUPAC Name | — |
| CAS Number | 536748-06-8 |
| Database ID | 22181520 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
4-amino-3-fluoro-N,N-dimethylbenzamide (CAS 536748-06-8) 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 22181520
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-000c207893d944fa8730fc8fece0ab19Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-000c207893d944fa8730fc8fece0ab19Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Into a solution of 2 (1.25 g, 3.61 mmol) in CHCl3 (25 mL) was added 5 (0.66 g, 3.61 mmol), EEDQ (1.07 g, 4.32 mmol), and triethylamine (0.74 mL, 5.33 mmol). The solution was stirred at reflux for 19 h before cooling to RT and adding EtOAc. The solution was washed sequentially with 1N HCl, 0.1N NaOH, water, and brine, before drying over MgSO4 and concentrating under reduced pressure. The crude material was purified on a silica gel column eluted with 20% moving to 50% EtOAc in hexanes. Combined and concentrated pure fractions. to give 6 (0.33 g, 18%). MS: APCI (AP+): 510.3 (M)+, (AP−): 508.4 (M)−. at reflux for 19 h The solution was washed sequentially with 1N HCl, 0.1N NaOH, water, and brine before drying over MgSO4 concentrating under reduced pressure The crude material was purified on a silica gel column eluted with 20% concentrated pure fractions
Source ID: ord-43a7b77a67ee48dbbf3fb01d9b7ad62eConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a Parr apparatus was added 4 (0.78 g, 3.67 mmol), Raney nickel (1.2 g), and THF (50 mL). The vessel was sealed under a hydrogen atmosphere and shaken under pressure at room temperature for 15 h. The vessel was then depressurized and the solids filtered off, washing with THF. The filtrate was concentrated under reduced pressure to give impure 5 (0.66 g, 100%). MS: APCI (AP+): 183.1 (M)+, (AP−): 181.0 (M)−. The vessel was sealed under a hydrogen atmosphere the solids filtered off washing with THF The filtrate was concentrated under reduced pressure
Source ID: ord-936dadaa99944d62bd765536dbdbb7c7Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Into a solution of 2 (1.25 g, 3.61 mmol) in CHCl3 (25 mL) was added 5 (0.66 g, 3.61 mmol), EEDQ (1.07 g, 4.32 mmol), and triethylamine (0.74 mL, 5.33 mmol). The solution was stirred at reflux for 19 h before cooling to RT and adding EtOAc. The solution was washed sequentially with 1N HCl, 0.1N NaOH, water, and brine, before drying over MgSO4 and concentrating under reduced pressure. The crude material was purified on a silica gel column eluted with 20% moving to 50% EtOAc in hexanes. Combined and concentrated pure fractions. to give 6 (0.33 g, 18%). MS: APCI (AP+): 510.3 (M)+, (AP−): 508.4 (M)−. at reflux for 19 h The solution was washed sequentially with 1N HCl, 0.1N NaOH, water, and brine before drying over MgSO4 concentrating under reduced pressure The crude material was purified on a silica gel column eluted with 20% concentrated pure fractions
Source ID: ord-43a7b77a67ee48dbbf3fb01d9b7ad62eConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Into a solution of 2 (1.25 g, 3.61 mmol) in CHCl3 (25 mL) was added 5 (0.66 g, 3.61 mmol), EEDQ (1.07 g, 4.32 mmol), and triethylamine (0.74 mL, 5.33 mmol). The solution was stirred at reflux for 19 h before cooling to RT and adding EtOAc. The solution was washed sequentially with 1N HCl, 0.1N NaOH, water, and brine, before drying over MgSO4 and concentrating under reduced pressure. The crude material was purified on a silica gel column eluted with 20% moving to 50% EtOAc in hexanes. Combined and concentrated pure fractions. to give 6 (0.33 g, 18%). MS: APCI (AP+): 510.3 (M)+, (AP−): 508.4 (M)−. at reflux for 19 h The solution was washed sequentially with 1N HCl, 0.1N NaOH, water, and brine before drying over MgSO4 concentrating under reduced pressure The crude material was purified on a silica gel column eluted with 20% concentrated pure fractions
Source ID: ord-10765fa99f9a4cdc90a2f5569cec417cConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a Parr apparatus was added 4 (0.78 g, 3.67 mmol), Raney nickel (1.2 g), and THF (50 mL). The vessel was sealed under a hydrogen atmosphere and shaken under pressure at room temperature for 15 h. The vessel was then depressurized and the solids filtered off, washing with THF. The filtrate was concentrated under reduced pressure to give impure 5 (0.66 g, 100%). MS: APCI (AP+): 183.1 (M)+, (AP−): 181.0 (M)−. The vessel was sealed under a hydrogen atmosphere the solids filtered off washing with THF The filtrate was concentrated under reduced pressure
Source ID: ord-f8dc56cafe8349009c4e132e1d5da557Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Into a solution of 2 (1.25 g, 3.61 mmol) in CHCl3 (25 mL) was added 5 (0.66 g, 3.61 mmol), EEDQ (1.07 g, 4.32 mmol), and triethylamine (0.74 mL, 5.33 mmol). The solution was stirred at reflux for 19 h before cooling to RT and adding EtOAc. The solution was washed sequentially with 1N HCl, 0.1N NaOH, water, and brine, before drying over MgSO4 and concentrating under reduced pressure. The crude material was purified on a silica gel column eluted with 20% moving to 50% EtOAc in hexanes. Combined and concentrated pure fractions to give 6 (0.33 g, 18%). MS: APCI (AP+): 510.3 (M)+, (AP−): 508.4 (M)−. at reflux for 19 h The solution was washed sequentially with 1N HCl, 0.1N NaOH, water, and brine before drying over MgSO4 concentrating under reduced pressure The crude material was purified on a silica gel column eluted with 20% concentrated pure fractions
Source ID: ord-ecae4f03b14e4efd947cc7c58ffb0f7cConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a Parr apparatus was added 4 (0.78 g, 3.67 mmol), Raney nickel (1.2 g), and THF (50 mL). The vessel was sealed under a hydrogen atmosphere and shaken under pressure at room temperature for 15 h. The vessel was then depressurized and the solids filtered off, washing with THF. The filtrate was concentrated under reduced pressure to give impure 5 (0.66 g, 100%). MS: APCI (AP+): 183.1 (M)+, (AP−): 181.0 (M)−. The vessel was sealed under a hydrogen atmosphere the solids filtered off washing with THF The filtrate was concentrated under reduced pressure
Source ID: ord-aff17489d244475c9d3d4ac75d8d4fc1PubChem References
These sources are listed in the compound's public database record.
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