HuagongsheHuagongshe Chemistry Print Report · For research reference only
6-(1,4-Diazepan-1-yl)nicotinonitrile → HCID 53327836, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 6-(1,4-Diazepan-1-yl)nicotinonitrile | HCID 2747101 | — |
| Reactant | 3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid | HCID 25180854 | — |
| Product | HCID 53327836 | HCID 53327836 | 34% |
Reaction Steps
This compound was synthesized from 6-(1,4-diazepan-1-yl)nicotinonitrile and 3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid as described for example 37 step 3 (80 mg, yield 34%). 1H NMR (400 MHz, MeOD) δ 8.20-8.18 (m, 1H), 8.02 (m, 1H), 7.69-7.65 (m, 1H), 7.60 (t, J=7.7 Hz, 1H), 7.55 (m, 1H), 7.38 (d, J=7.8 Hz, 1H), 6.78-6.76 (m, 1H), 4.01 (m, 1H), 3.93-3.90 (m, 2H), 3.83-3.79 (m, 2H), 3.75 (m, 2H), 3.48-3.46 (m, 1H), 2.07-2.02 (m, 2H). 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-b7ba493668334004917e464ac79a6e4d |
| Source note | uspto-grants-2015_03 |