HuagongsheHuagongshe Chemistry Print Report · For research reference only
Phenylacetic Acid → HCID 11744488, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Phenylacetic Acid | HCID 999 | — |
| Reactant | Methanaminium, N-((1H-benzotriazol-1-yloxy)(dimethylamino)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1) | HCID 2733084 | — |
| Reactant | HCID 66815800 | HCID 66815800 | — |
| Solvent | Acetonitrile | HCID 6342 | — |
| Product | HCID 11744488 | HCID 11744488 | — |
Reaction Steps
A solution of 4-piperazin-1-yl-N-quinolin-3-yl-benzamide (75 mg, 0.284 mmol), phenylacetic acid (51 mg, 0.375 mmol), O-benzotriazol-1-yl-N,N,N′,N′-tetramethyluronium hexafluorophosphate (HBTU)(118 mg, 0.30 mmol) and N,N—N,N-diisopropylethylamine (0.110 mL, 0.626 mmol) in acetonitrile (2 mL) was heated to 80° C. The solution was cooled to room temperature and the product crystallized. The product was collected by filtration washed with acetonitrile to give 63 mg (49%). MS: m/z 451 (MH+). 1H NMR (DMSO-d6): δ 3.24-3.34 (m, 4 H), 3.63-3.69 (m, 4 H), 3.79 (s, 2 H), 7.05 (d, 2 H), 7.22-7.46 (m, 5 H), 7.54-7.67 (m, 2 H), 7.92-7.99 (m, 4 H), 8.82 (d, 1 H), 9.15 (d, 1 H) and 10.40 (s, 1 H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08394828B2 |
| Source dataset | uspto-grants-2013_03 |
| ORD ID | ord-8847877316b646c39e683a3e8bd97420 |
| Source note | uspto-grants-2013_03 |