HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid → 6-(3-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-(3-Methylpiperazin-1-yl)nicotinonitrile | HCID 62479801 | — |
| Product | 6-(3-Methyl-4-(3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoyl)piperazin-1-yl)nicotinonitrile | HCID 53327770 | 39% |
Reaction Steps
This compound was synthesized from 6-(3-methylpiperazin-1-yl)nicotinonitrile and 3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid as described for example 37 step 3 (75 mg, yield 39%). 1H NMR (400 MHz, MeOD) δ 8.41 (d, J=2.0 Hz, 1H), 8.27-8.25 (m, 1H), 8.18 (s, 1H), 7.77-7.72 (m, 3H), 6.89 (d, J=9.0 Hz, 1H), 4.39 (m, 3H), 3.48 (m, 2H), 3.22-3.15 (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-3fac6b0bde38424dbd43da1e2756a960 |
| Source note | uspto-grants-2015_03 |