HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Fluorobenzoic Acid → HCID 59559577, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 4-Fluorobenzoic Acid | HCID 9973 | — |
| Reactant | 1-Hydroxybenzotriazole | HCID 75771 | — |
| Reactant | Diisopropylethylamine | HCID 81531 | — |
| Reactant | 1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride | HCID 2723939 | — |
| Reactant | 2-amino-1-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethanone TFA salt | HCID 86634088 | — |
| Solvent | Water | HCID 962 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Product | HCID 59559577 | HCID 59559577 | 67% |
Reaction Steps
DIPEA (46.5 mg, 0.36 mmol) was added to a stirred solution of 2-amino-1-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethanone-TFA salt (62 mg, 0.14 mmol) in DMF (0.5 mL). HOBT (19 mg, 0.14 mmol) and EDCI.HCl (28 mg, 0.14 mmol) were added at room temperature. After 2 minutes, 4-fluorobenzoic acid, (17 mg, 0.12 mmol) was added. The resulting mixture was stirred at room temperature for four hours. Water was then added, and the product was extracted with EtOAc. The organic layer was washed with brine, dried over Na2SO4 and concentrated under reduced pressure to afford 35 mg (67% yield) of 4-fluoro-N-{2-oxo-2-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethyl}-benzamide. LCMS Purity: 92.29%, HPLC Purity: 93.53%.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US07842696B2 |
| Source dataset | uspto-grants-2010_11 |
| ORD ID | ord-b5e6f6797f644b6aa691176596c6974f |
| Source note | uspto-grants-2010_11 |