HuagongsheHuagongshe Chemistry Print Report · For research reference only
N,N-dimethylethene-1-sulfonamide → 2-(4-(2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)piperidin-1-yl)-N,N-dimethylethanesulfonamide
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | N,N-dimethylethene-1-sulfonamide | HCID 19037148 | — |
| Reactant | 2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-8-piperidin-4-yl-4,5-dihydro-6-oxa-1,3a-diaza-benzo[e]azulene trifluoroacetic acid salt | HCID 67050722 | — |
| Product | 2-(4-(2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)piperidin-1-yl)-N,N-dimethylethanesulfonamide | HCID 58204854 | — |
Reaction Steps
2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-8-piperidin-4-yl-4,5-dihydro-6-oxa-1,3a-diaza-benzo[e]azulene trifluoroacetic acid salt was reacted with N,N-dimethylethenesulfonamide to give 249 as a white solid. 1H NMR δ (ppm) (DMSO-d6): 8.28 (1H, d, J=8.29 Hz), 7.86 (1H, d, J=0.63 Hz), 7.85 (1H, s), 7.01 (1H, dd, J=8.37, 1.77 Hz), 6.85 (1H, d, J=1.72 Hz), 5.88-5.80 (1H, m), 4.48-4.42 (4H, m), 3.23-3.15 (2H, m), 2.95 (2H, d, J=11.09 Hz), 2.74 (6H, s), 2.68-2.60 (2H, m), 2.09-1.98 (2H, m), 1.73 (2H, d, J=12.61 Hz), 1.64-1.55 (2H, m), 1.43 (6H, d, J=6.61 Hz). 1 Proton obscured by solvent peak. LCMS: RT=2.90 M+H+=513
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08242104B2 |
| Source dataset | uspto-grants-2012_08 |
| ORD ID | ord-5bf05bea235a4dec8a348bcaea070c3b |
| Source note | uspto-grants-2012_08 |