HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid → Methyl 4-(5-cyanopyridin-2-yl)-1-(3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoyl)piperazine-2-carboxylate
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid | HCID 25180854 | — |
| Reactant | Methyl 4-(5-cyanopyridin-2-yl)piperazine-2-carboxylate | HCID 67323895 | — |
| Product | Methyl 4-(5-cyanopyridin-2-yl)-1-(3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoyl)piperazine-2-carboxylate | HCID 67325316 | 73% |
Reaction Steps
This compound was synthesized from methyl 4-(5-cyanopyridin-2-yl)piperazine-2-carboxylate and 3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid as described for example 37 step 3 (130 mg, yield 73%). 1H NMR (400 MHz, CDCl3) δ 8.55-8.50 (m, 1H), 8.42 (br s, 1H), 8.24 (m, 1H), 7.73-7.64 (m, 3H), 6.71 (d, J=9.0 Hz, 1H), 4.94 (m, 1H), 4.52-4.41 (m, 1H), 3.78 (s, 3H), 3.75 (m, 2H), 3.69-3.59 (m, 1H), 3.51-3.48 (m, 1H), 3.11-3.04 (m, 1H). MS (ESI) m/z: Calculated for C22H17F3N6O4: 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-e05582c252b54e09a2f00094c008001c |
| Source note | uspto-grants-2015_03 |