HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid → HCID 53327834, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid | HCID 25180854 | — |
| Reactant | HCID 56828953 | HCID 56828953 | — |
| Product | HCID 53327834 | HCID 53327834 | 44% |
Reaction Steps
This compound was synthesized from 6-(3-aminopiperidin-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 44%). 1H NMR (400 MHz, CDCl3) δ 8.47 (d, J=2.1 Hz, 1H), 8.36 (s, 1H), 8.27 (d, J=7.6 Hz, 1H), 8.00-7.98 (dd, J=7.8 Hz, 1.1 Hz, 1H), 7.65-7.61 (m, 2H), 6.77 (d, J=9.2 Hz, 1H), 6.63 (d, J=6.1 Hz, 1H), 4.24-4.21 (dt, J=6.7 Hz, 3.4 Hz, 1H), 4.00-3.98 (m, 1H), 3.91-3.80 (m, 2H), 3.64-3.58 (m, 1H), 2.12-2.05 (ddd, J=13.0 Hz, 8.6 Hz, 4.3 Hz, 1H), 2.03-1.96 (m, 1H), 1.89-1.82 (m, 1H), 1.77-1.69 (m, 1H). MS (ESI) m/z: Calculated for C21H17F3N6O2: 486.13. found: 487.2 (M+H)+
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08981084B2 |
| Source dataset | uspto-grants-2015_03 |
| ORD ID | ord-dc998599e84c4e3fb8ba5098fe976116 |
| Source note | uspto-grants-2015_03 |