HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid → 6-(3,5-Dimethyl-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-(3,5-Dimethylpiperazin-1-yl)nicotinonitrile | HCID 62588079 | — |
| Product | 6-(3,5-Dimethyl-4-(3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoyl)piperazin-1-yl)nicotinonitrile | HCID 53327787 | 18% |
Reaction Steps
This compound was synthesized from 6-(3,5-dimethylpiperazin-1-yl)nicotinonitrile and 3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid as described for example 37 step 3 (35 mg, yield 18%). 1H NMR (400 MHz, CDCl3) δ 8.42 (d, J=1.8 Hz, 1H), 8.22 (dt, J=7.2 Hz, J=1.7 Hz, 1H), 8.16 (s, 1H), 7.68-7.62 (m, 3H), 6.66 (d, J=9.0 Hz, 1H), 4.46 (m, 2H), 4.29 (d, J=13.8 Hz, 1H), 3.36 (m, 2H), 1.16 (d, J=6.3 Hz, 6H). MS (ESI) m/z: Calculated for C22H19F3N6O2: 456.15. found: 457.2 (M+H)+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08981084B2 |
| Source dataset | uspto-grants-2015_03 |
| ORD ID | ord-f8146702588c46a6a3a2726cdf75d4a3 |
| Source note | uspto-grants-2015_03 |