No renderable structure data available
CCOC(=O)C(C)(C)CC(F)(F)FChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | ethyl 4,4,4-trifluoro-2,2-dimethylbutanoate |
|---|---|
| IUPAC Name | — |
| CAS Number | 885275-92-3 |
| Database ID | 9990309 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
ethyl 4,4,4-trifluoro-2,2-dimethylbutanoate (CAS 885275-92-3) 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 9990309
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
8 reactions · 8 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-b520dd7ed70d4ee093e61b4659b021ebConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of ethyl 4,4,4-trifluoro-2,2-dimethylbutanoate (426 mg, 2.15 mmol) in MeOH (15 mL) was added a solution of LiOH in H2O (2 N, 5.35 mL, 10.75 mmol). The reaction mixture was stirred at room temperature overnight. The reaction was concentrated and the resulting mixture was diluted with DCM and washed with 3 N HCl. The aqueous layer was extracted twice with DCM. The combined organic layers were dried over MgSO4, filtered and concentrated to yield 4,4,4-trifluoro-2,2-dimethylbutanoic acid as a colorless oil (370 mg, 100% yield). 1H NMR (400 MHz, CDCl3) ppm 1.35 (s, 6H), 2.48 (ABqt, J=12 Hz, 2H). The reaction was concentrated the resulting mixture was diluted with DCM washed with 3 N HCl The aqueous layer was extracted twice with DCM The combined organic layers were dried over MgSO4 filtered concentrated
Source ID: ord-04c7059ce90b455f8210facacb052de5Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of ethyl 4,4,4-trifluoro-2,2-dimethylbutanoate (426 mg, 2.15 mmol) in MeOH (15 mL) was added a solution of LiOH in H2O (2 N, 5.35 mL, 10.75 mmol). The reaction mixture was stirred at room temperature overnight. The reaction was concentrated and the resulting mixture was diluted with DCM and washed with 3 N HCl. The aqueous layer was extracted twice with DCM. The combined organic layers were dried over MgSO4, filtered and concentrated to yield 4,4,4-trifluoro-2,2-dimethylbutanoic acid as a colorless oil (370 mg, 100% yield). 1H NMR (400 MHz, CDCl3) ppm 1.35 (s, 6H), 2.48 (ABqt, J=12 Hz, 2H). The reaction was concentrated the resulting mixture was diluted with DCM washed with 3 N HCl The aqueous layer was extracted twice with DCM The combined organic layers were dried over MgSO4 filtered concentrated
Source ID: ord-04c7059ce90b455f8210facacb052de5Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-b520dd7ed70d4ee093e61b4659b021ebConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of ethyl 4,4,4-trifluoro-2,2-dimethylbutanoate (426 mg, 2.15 mmol) in MeOH (15 mL) was added a solution of LiOH in H2O (2 N, 5.35 mL, 10.75 mmol). The reaction mixture was stirred at room temperature overnight. The reaction was concentrated and the resulting mixture was diluted with DCM and washed with 3 N HCl. The aqueous layer was extracted twice with DCM. The combined organic layers were dried over MgSO4, filtered and concentrated to yield 4,4,4-trifluoro-2,2-dimethylbutanoic acid as a colorless oil (370 mg, 100% yield). 1H NMR (400 MHz, CDCl3) ppm 1.35 (s, 6H), 2.48 (ABqt, J=12 Hz, 2H). The reaction was concentrated the resulting mixture was diluted with DCM washed with 3 N HCl The aqueous layer was extracted twice with DCM The combined organic layers were dried over MgSO4 filtered concentrated
Source ID: ord-1792ae22976c494e808011ab13ff7deaConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of ethyl 4,4,4-trifluoro-2,2-dimethylbutanoate (426 mg, 2.15 mmol) in MeOH (15 mL) was added a solution of LiOH in H2O (2 N, 5.35 mL, 10.75 mmol). The reaction mixture was stirred at room temperature overnight. The reaction was concentrated and the resulting mixture was diluted with DCM and washed with 3 N HCl. The aqueous layer was extracted twice with DCM. The combined organic layers were dried over MgSO4, filtered and concentrated to yield 4,4,4-trifluoro-2,2-dimethylbutanoic acid as a colorless oil (370 mg, 100% yield). 1H NMR (400 MHz, CDCl3) ppm 1.35 (s, 6H), 2.48 (ABqt, J=12 Hz, 2H). The reaction was concentrated the resulting mixture was diluted with DCM washed with 3 N HCl The aqueous layer was extracted twice with DCM The combined organic layers were dried over MgSO4 filtered concentrated
Source ID: ord-9b73226260d648d680f9f10082eda5cfConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of ethyl 4,4,4-trifluoro-2,2-dimethylbutanoate (1 g, 5.05 mmol) in ether (25 ml) under nitrogen was added LAH (1M solution in ether, 20.2 mmol) and allowed to stir at room temperature for one hour. Methanol was slowly added to R×n until bubbling stopped. The reaction was then suspended in ether and Water. The suspension was washed with Water, dried over sodium sulfate, filtered, and concentrated without heat to produce an oil 4,4,4-trifluoro-2,2-dimethylbutan-1-ol (75-1). 1H NMR (500 MHz, CDCl3) δ 3.4 (s, 2H), 2.20-2.01 (m, 2H), 1.05 (s, 6H). (M+H)+: observed=157.16, calculated=157.15 until bubbling The suspension was washed with Water dried over sodium sulfate filtered concentrated without heat
Source ID: ord-acc82fe7a09441d99dc41e8240c65117Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of ethyl 4,4,4-trifluoro-2,2-dimethylbutanoate (426 mg, 2.15 mmol) in MeOH (15 mL) was added a solution of LiOH in H2O (2 N, 5.35 mL, 10.75 mmol). The reaction mixture was stirred at room temperature overnight. The reaction was concentrated and the resulting mixture was diluted with DCM and washed with 3 N HCl. The aqueous layer was extracted twice with DCM. The combined organic layers were dried over MgSO4, filtered and concentrated to yield 4,4,4-trifluoro-2,2-dimethylbutanoic acid as a colorless oil (370 mg, 100% yield). 1H NMR (400 MHz, CDCl3) ppm 1.35 (s, 6H), 2.48 (ABqt, J=12 Hz, 2H). The reaction was concentrated the resulting mixture was diluted with DCM washed with 3 N HCl The aqueous layer was extracted twice with DCM The combined organic layers were dried over MgSO4 filtered concentrated
Source ID: ord-04c7059ce90b455f8210facacb052de5PubChem References
These sources are listed in the compound's public database record.
Related Products
12 related records
CAS 2365-82-4
CAS 1447942-59-7
CAS 1895024-31-3
CAS 2250242-02-3
CAS 163714-64-5
CAS 1042153-25-2
CAS 91523-46-5
CAS 674335-88-7
CAS 1040683-08-6
CAS 91600-33-8
CAS 885276-39-1
CAS 1263376-47-1
Request a Quote
Send the required specification, quantity, destination and intended use. The CATO team will review availability and respond.