Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Hydrochloric Acid | HCID 313 | — |
| Reactant | Sodium hydride | HCID 24758 | — |
| Reactant | Cyclopropanemethanol | HCID 75644 | — |
| Reactant | 3,4,5-Trifluorobenzoic acid | HCID 853154 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Product | HCID 63183789 | HCID 63183789 | — |
Reaction Steps
To a solution of cyclopropylmethanol (5.62 mL) in DMF (30 mL) was added sodium hydride (60% oil, 2.84 g), and the mixture was stirred at room temperature for 15 min. To the reaction mixture was added 3,4,5-trifluorobenzoic acid (5.00 g), and the mixture was stirred at room temperature for 30 min. The reaction mixture was neutralized with 6 M hydrochloric acid, and the mixture was extracted with ethyl acetate. The obtained organic layer was washed with saturated brine, and dried over anhydrous magnesium sulfate, and the solvent was evaporated under reduced pressure. To a solution of the obtained residue in DMF (20 mL) were added potassium carbonate (3.92 g) and methyl iodide (1.77 mL), and the mixture was stirred with heating at 60° C. for 40 min. The reaction mixture was allowed to cool to room temperature, diluted with ethyl acetate, washed with saturated brine, and dried over anhydrous magnesium sulfate. The solvent was evaporated under reduced pressure, and the obtained residue was purified by silica gel column chromatography (hexane/ethyl acetate). To a solution of the obtained oil in a mixed solvent of THF (20 mL) and methanol (20 mL) was added 2 M aqueous sodium hydroxide solution (28.8 mL), and the mixture was stirred with heating at 60° C. for 40 min. The reaction mixture was allowed to cool to room temperature, and neutralized with 6 M hydrochloric acid, and the mixture was extracted with ethyl acetate. The obtained organic layer was washed with saturated brine, and dried over anhydrous magnesium sulfate, and the solvent was evaporated under reduced pressure. The obtained solid was washed with hexane to give the title compound (5.32 g).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| Patent number | US09133129B2 |
|---|
| Source dataset | uspto-grants-2015_09 |
|---|
| ORD ID | ord-a2b98d1930f844458d1c685da632fa97 |
|---|
| Source note | uspto-grants-2015_09 |
|---|