No renderable structure data available
CCOC(=O)C1=CC(=C(C(=C1F)Cl)F)FChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | ethyl 3-chloro-2,4,5-trifluorobenzoate |
|---|---|
| IUPAC Name | — |
| CAS Number | 351354-33-1 |
| Database ID | 21041172 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
ethyl 3-chloro-2,4,5-trifluorobenzoate (CAS 351354-33-1) 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 21041172
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-6d51cc7310f94ac2801d0409eb9057f6Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 3-chloro-2,4,5-trifluorobenzoic acid ethyl ester (Example 1c, 5.50 g, 23.05 mmol) in acetonitrile (25 mL) is added triethylamine (6.43 mL, 46.1 mmol) and pyrrolidin-3-ylcarbamic acid tert-butyl ester (4.72 g, 25.4 mmol). After 48 hours, the mixture is diluted with ethyl acetate and washed with saturated NaHCO3, water, and brine. The organic layer is dried over MgSO4, filtered, and the filtrate is concentrated to afford the title compound (9.2 g). MS CI: m/z 405 (MH+). washed with saturated NaHCO3, water, and brine The organic layer is dried over MgSO4 filtered the filtrate is concentrated
Source ID: ord-22f416ac57d54fcbba4cf166a5b6cedaConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 3-chloro-2,4,5-trifluorobenzoic acid ethyl ester (Example 1c, 5.50 g, 23.05 mmol) in acetonitrile (25 mL) is added triethylamine (6.43 mL, 46.1 mmol) and (S)-pyrrolidin-3-ylcarbamic acid tert-butyl ester (4.72 g, 25.4 mmol). After 48 hours, the mixture is diluted with ethyl acetate and washed with saturated NaHCO3, water, and brine. The organic layer is dried over MgSO4, filtered, and the filtrate is concentrated to afford the title compound (9.34 g). MS CI: m/z 405 (MH+). washed with saturated NaHCO3, water, and brine The organic layer is dried over MgSO4 filtered the filtrate is concentrated
Source ID: ord-14c2810feb404edbaf479deead683489Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 3-chloro-2,4,5-trifluorobenzoic acid (Example 20, 4.90 g, 23.3 mmol) in dichloromethane (50 mL) is added oxalyl chloride (5.1 mL, 58.2 mmol) and N,N-dimethylformamide (1 drop). After 45 minutes, the reaction mixture is concentrated under vacuum. The resulting residue is dissolved in dichloromethane (50 mL) and treated with ethanol (10 mL, 172 mmol). After 30 minutes, the reaction mixture is diluted with dichloromethane and washed with saturated NaHCO3, water, and brine. The organic layer is dried over MgSO4, filtered, and the filtrate is concentrated to afford the title compound (5.59 g). 1H NMR (CDCl3): δ 7.76-7.68 (m, 1H), 4.40 (q, 2H), 1.39 (t, 3H). the reaction mixture is concentrated under vacuum The resulting residue is dissolved in dichloromethane (50 mL) After 30 minutes washed with saturated NaHCO3, water, and brine The organic layer is dried over MgSO4 filtered the filtrate is concentrated
Source ID: ord-61dad0f4443b4c12966d1b9d9d1f4672Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 3-chloro-2,4,5-tri-fluorobenzoic acid ethyl ester (Example 1c, 5.50 g, 23.05 mmol) in acetonitrile (25 mL) is added triethylamine (6.43 mL, 46.1 mmol) and pyrrolidin-3-ylcarbamic acid tert-butyl ester (4.72 g, 25.4 mmol). After 48 hours, the mixture is diluted with ethyl acetate and washed with saturated NaHCO3, water, and brine. The organic layer is dried over MgSO4, filtered, and the filtrate is concentrated to afford the title compound (9.2 g). MS CI: m/z 405 (MH+). washed with saturated NaHCO3, water, and brine The organic layer is dried over MgSO4 filtered the filtrate is concentrated
Source ID: ord-61d96d89dc3346d09c856b21814d1a9fConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 3-chloro-2,4,5-trifluorobenzoic acid ethyl ester (Example 1c, 5.50 g, 23.05 mmol) in acetonitrile (25 mL) is added triethylamine (6.43 mL, 46.1 mmol) and (S)-pyrrolidin-3-ylcarbamic acid tert-butyl ester (4.72 g, 25.4 mmol). After 48 hours, the mixture is diluted with ethyl acetate and washed with saturated NaHCO3, water, and brine. The organic layer is dried over MgSO4, filtered, and the filtrate is concentrated to afford the title compound (9.34 g). MS CI: m/z 405 (MH+). washed with saturated NaHCO3, water, and brine The organic layer is dried over MgSO4 filtered the filtrate is concentrated
Source ID: ord-2dd800356e8c4c8d8b56e82b571f1f7fConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 3-chloro-2,4,5-trifluorobenzoic acid (Example 20, 4.90 g, 23.3 mmol) in dichloromethane (50 mL) is added oxalyl chloride (5.1 mL, 58.2 mmol) and N,N-dimethylformamide (1 drop). After 45 minutes, the reaction mixture is concentrated under vacuum. The resulting residue is dissolved in dichloromethane (50 mL) and treated with ethanol (10 mL, 172 mmol). After 30 minutes, the reaction mixture is diluted with dichloromethane and washed with saturated NaHCO3, water, and brine. The organic layer is dried over MgSO4, filtered, and the filtrate is concentrated to afford the title compound (5.59 g). 1H NMR (CDCl3): δ 7.76–7.68 (m, 1H), 4.40 (q, 2H), 1.39 (t, 3H). the reaction mixture is concentrated under vacuum The resulting residue is dissolved in dichloromethane (50 mL) After 30 minutes washed with saturated NaHCO3, water, and brine The organic layer is dried over MgSO4 filtered the filtrate is concentrated
Source ID: ord-5a1e87024e2c4043be3cf1af09546602Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-6d51cc7310f94ac2801d0409eb9057f6Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 3-chloro-2,4,5-tri-fluorobenzoic acid ethyl ester (Example 1c, 5.50 g, 23.05 mmol) in acetonitrile (25 mL) is added triethylamine (6.43 mL, 46.1 mmol) and pyrrolidin-3-ylcarbamic acid tert-butyl ester (4.72 g, 25.4 mmol). After 48 hours, the mixture is diluted with ethyl acetate and washed with saturated NaHCO3, water, and brine. The organic layer is dried over MgSO4, filtered, and the filtrate is concentrated to afford the title compound (9.2 g). MS CI: m/z 405 (MH+). washed with saturated NaHCO3, water, and brine The organic layer is dried over MgSO4 filtered the filtrate is concentrated
Source ID: ord-61d96d89dc3346d09c856b21814d1a9fConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 3-chloro-2,4,5-trifluorobenzoic acid ethyl ester (Example 1c, 5.50 g, 23.05 mmol) in acetonitrile (25 mL) is added triethylamine (6.43 mL, 46.1 mmol) and (S)-pyrrolidin-3-ylcarbamic acid tert-butyl ester (4.72 g, 25.4 mmol). After 48 hours, the mixture is diluted with ethyl acetate and washed with saturated NaHCO3, water, and brine. The organic layer is dried over MgSO4, filtered, and the filtrate is concentrated to afford the title compound (9.34 g). MS CI: m/z 405 (MH+). washed with saturated NaHCO3, water, and brine The organic layer is dried over MgSO4 filtered the filtrate is concentrated
Source ID: ord-2dd800356e8c4c8d8b56e82b571f1f7fConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 3-chloro-2,4,5-trifluorobenzoic acid (Example 20, 4.90 g, 23.3 mmol) in dichloromethane (50 mL) is added oxalyl chloride (5.1 mL, 58.2 mmol) and N,N-dimethylformamide (1 drop). After 45 minutes, the reaction mixture is concentrated under vacuum. The resulting residue is dissolved in dichloromethane (50 mL) and treated with ethanol (10 mL, 172 mmol). After 30 minutes, the reaction mixture is diluted with dichloromethane and washed with saturated NaHCO3, water, and brine. The organic layer is dried over MgSO4, filtered, and the filtrate is concentrated to afford the title compound (5.59 g). 1H NMR (CDCl3): δ 7.76–7.68 (m, 1H), 4.40 (q, 2H), 1.39 (t, 3H). the reaction mixture is concentrated under vacuum The resulting residue is dissolved in dichloromethane (50 mL) After 30 minutes washed with saturated NaHCO3, water, and brine The organic layer is dried over MgSO4 filtered the filtrate is concentrated
Source ID: ord-5a1e87024e2c4043be3cf1af09546602Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 3-chloro-2,4,5-trifluorobenzoic acid ethyl ester (Example 1c, 5.50 g, 23.05 mmol) in acetonitrile (25 mL) is added triethylamine (6.43 mL, 46.1 mmol) and pyrrolidin-3-ylcarbamic acid tert-butyl ester (4.72 g, 25.4 mmol). After 48 hours, the mixture is diluted with ethyl acetate and washed with saturated NaHCO3, water, and brine. The organic layer is dried over MgSO4, filtered, and the filtrate is concentrated to afford the title compound (9.2 g). MS CI: m/z 405 (MH+). washed with saturated NaHCO3, water, and brine The organic layer is dried over MgSO4 filtered the filtrate is concentrated
Source ID: ord-22f416ac57d54fcbba4cf166a5b6cedaPubChem References
These sources are listed in the compound's public database record.
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