HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid → 6-(2-Methyl-4-(3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoyl)piperazin-1-yl)nicotinonitrile
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid | HCID 25180854 | — |
| Reactant | 6-(2-Methylpiperazin-1-yl)nicotinonitrile hydrochloride | HCID 67323949 | — |
| Product | 6-(2-Methyl-4-(3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoyl)piperazin-1-yl)nicotinonitrile | HCID 53327769 | 43% |
Reaction Steps
This compound was synthesized from 3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid and 6-(2-methylpiperazin-1-yl)nicotinonitrile hydrochloride as described for example 37 step 3 (70 mg, yield 43%). 1H NMR (400 MHz, MeOD) δ 8.43 (d, J=2.0 Hz, 1H), 8.27 (m, 1H), 8.22 (s, 1H), 7.78-7.73 (m, 3H), 6.86 (d, J=9.0 Hz, 1H), 4.66-4.56 (m, 2H), 4.34-4.29 (m, 1H), 3.85-3.83 (m, 1H), 3.65 (m, 1H), 3.49-3.40 (m, 1H), 3.26 (m, 1H), 1.29 (m, 3H). MS (ESI) m/z: Calculated for C21H17F3N6O2: 442.14. found: 443.2 (M+H)+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08981084B2 |
| Source dataset | uspto-grants-2015_03 |
| ORD ID | ord-258788814e204fc99ef5b73bdb0e2754 |
| Source note | uspto-grants-2015_03 |