HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Fluoro-4-piperazin-1-yl-benzonitrile → 3-Fluoro-4-(4-(3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoyl)piperazin-1-yl)benzonitrile
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 3-Fluoro-4-piperazin-1-yl-benzonitrile | HCID 596113 | — |
| Reactant | 3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid | HCID 25180854 | — |
| Product | 3-Fluoro-4-(4-(3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoyl)piperazin-1-yl)benzonitrile | HCID 53327924 | 38% |
Reaction Steps
This compound was synthesized from 3-fluoro-4-(piperazin-1-yl)benzonitrile and 3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid as described for example 37 step 3 (100 mg, yield 38%). 1H NMR (400 MHz, DMSO-d6) δ 8.17-8.15 (dt, J=6.6 Hz, 1.7 Hz, 1H), 8.09 (s, 1H), 7.75-7.72 (m, 3H), 7.61-7.58 (dd, J=8.5 Hz, 1.5 Hz, 1H), 7.17-7.13 (t, J=8.7 Hz, 1H), 3.81 (m, 2H), 3.52 (m, 2H), 3.19 (m, 4H). MS (ESI) m/z: Calculated for C21H15F4N5O2: 445.12. found: 446.2 (M+H)+
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08981084B2 |
| Source dataset | uspto-grants-2015_03 |
| ORD ID | ord-171168492c674416adfe78fffc1f8c11 |
| Source note | uspto-grants-2015_03 |