HuagongsheHuagongshe Chemistry Print Report · For research reference only
Benzoic acid, 4-fluoro-, ethyl ester → Ethyl 4-((3S,5R)-3,5-dimethylpiperazin-1-yl)benzoate
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Benzoic acid, 4-fluoro-, ethyl ester | HCID 67976 | — |
| Reactant | rel-(2R,6S)-2,6-dimethylpiperazine | HCID 6950261 | — |
| Solvent | Dimethyl Sulfoxide | HCID 679 | — |
| Product | Ethyl 4-((3S,5R)-3,5-dimethylpiperazin-1-yl)benzoate | HCID 23381002 | 71.9% |
Reaction Conditions
| Temperature | 120 °C |
|---|
Reaction Steps
(2S,6R)-2,6-dimethylpiperazine (6.85 g, 60.00 mmol) was added to ethyl-4-fluorobenzoate (2.20 mL, 15 mmol), in DMSO (40 mL) and warmed to 120° C. under nitrogen. The resulting solution was stirred at 120° C. for 20 h. The reaction mixture was cooled and the solvent evaporated. The crude product was purified by silica column chromatography, eluting with a gradient of 0 to 10% methanol in dichloromethane containing 1% 0.880 ammonia. Pure fractions were evaporated to dryness to afford ethyl 4-((3R,5S)-3,5-dimethylpiperazin-1-yl)benzoate (2.83 g, 71.9%) as a brown oil, which solidified on standing.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US07737149B2 |
| Source dataset | uspto-grants-2010_06 |
| ORD ID | ord-6a5a08e9ca8448a39f05d86d759d82d4 |
| Source note | uspto-grants-2010_06 |