Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Hydrochloric Acid | HCID 313 | — |
| Reactant | Sodium Carbonate | HCID 10340 | — |
| Reactant | 5-Fluoro-2-nitrobenzotrifluoride | HCID 223094 | — |
| Reactant | 4,4-Difluoroproline | HCID 15216102 | — |
| Solvent | Water | HCID 962 | — |
| Solvent | Water ethanol | HCID 19096565 | — |
| Product | HCID 59410065 | HCID 59410065 | 89% |
Reaction Steps
To 4-fluoro-1-nitro-2-(trifluoromethyl)benzene (416 mg, 2 mmol), (S)-4,4-difluoropyrrolidine-2-carboxylic acid (301 mg, 2 mmol), and sodium carbonate (633 mg, 574 μL, 6.0 mmol) was added 1:1 water/Ethanol (8 mL) and the reaction mixture was heated at 90° C. for 72 h. The reaction mixture was diluted with water (50 mL) then acidified with 1 N HCl and the product was extracted with ethyl acetate. The organic layer was dried over Na2SO4, filtered and concentrated under reduced pressure to yield (S)-4,4-difluoro-1-(4-nitro-3-(trifluoromethyl)phenyl)pyrrolidine-2-carboxylic acid as a brown oil (600 mg, 89%), which was used directly in the next reaction. LC/MS: m/z 341.00 (M+H)+ at 1.49 min (10%-99% CH3CN (0.035% TFA)/H2O (0.05% TFA)).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| Patent number | US08614327B2 |
|---|
| Source dataset | uspto-grants-2013_12 |
|---|
| ORD ID | ord-eb0ef5f8e8924f029e1fddee61b39093 |
|---|
| Source note | uspto-grants-2013_12 |
|---|