HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(1H-1,2,4-triazol-1-yl)acetic acid hydrochloride → HCID 67010442, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 2-(1H-1,2,4-triazol-1-yl)acetic acid hydrochloride | HCID 44887050 | — |
| Reactant | HCID 86659492 | HCID 86659492 | — |
| Product | HCID 67010442 | HCID 67010442 | 19% |
Reaction Steps
Proceeding as in Examples 11 and 12, but substituting 2-(1H-1,2,4-triazol-1-yl)acetic acid hydrochloride and (S)-benzyl 4-(2-(1H-1,2,4-triazol-1-yl)acetyl)-3-(4-(4-fluorophenoxy)phenylcarbamoyl)piperazine-1-carboxylate, respectively, gave Compound 261, (S)-1-(2-(1H-1,2,4-triazol-1-yl)acetyl)-4-benzyl-N-(4-(4-fluorophenoxy)phenyl)piperazine-2-carboxamide (67.9 mg, 19%). Major isomer: 1H-NMR (400 MHz, DMSO-D6): σ 9.83 (s, 1H), 8.45 (s, 1H), 7.96 (s, 1H), 7.51 (d, 2H), 7.28-7.13 (m, 7H), 7.06-6.98 (m, 4H), 5.49 (d, 1H), 5.28 (d, 1H), 4.91-4.89 (m, 1H), 3.68-3.38 (m, 5H), 2.92-2.85 (m, 1H), 2.25-2.17 (m, 2H). MS (EI) for C28H27FN6O3. found 515.3 (MH+).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08791102B2 |
| Source dataset | uspto-grants-2014_07 |
| ORD ID | ord-4c0ece45aa894710b3bf83feaefbd4a3 |
| Source note | uspto-grants-2014_07 |