HuagongsheHuagongshe Chemistry Print Report · For research reference only
Hydrochloric Acid → 2-hydroxy-1-(4-((2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-4,5-dihydrobenzo[b]pyrazolo[1,5-d][1,4]oxazepin-9-yl)methyl)piperazin-1-yl)ethanone
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Hydrochloric Acid | HCID 313 | — |
| Reactant | 2-Hydroxy-1-(piperazin-1-yl)ethan-1-one | HCID 18506884 | — |
| Reactant | 2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,10b-diaza-benzo[e]azulene-9-carbaldehyde | HCID 58204666 | — |
| Solvent | Diethyl Ether | HCID 3283 | — |
| Product | 2-hydroxy-1-(4-((2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-4,5-dihydrobenzo[b]pyrazolo[1,5-d][1,4]oxazepin-9-yl)methyl)piperazin-1-yl)ethanone | HCID 58204725 | — |
Reaction Steps
Following the procedure for 128 without the use of HCl in diethyl ether, 2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,10b-diaza-benzo[e]azulene-9-carbaldehyde was reacted with 2-hydroxy-1-piperazin-1-yl-ethanone to give 132 as a white solid. 1H NMR (CDCl3, 400 MHz): δ 7.95 (s, 1H); 7.86 (d, J=2.0 Hz, 1H); 7.28-7.23 (m, 1H); 7.17 (d, J=8.2 Hz, 1H); 6.86 (s, 1H); 5.73-5.60 (m, 1H); 4.55 (t, J=6.0 Hz, 2H); 4.15 (s, 2H); 3.69 (t, J=4.8 Hz, 2H); 3.64-3.55 (m, 3H); 3.29 (t, J=4.8 Hz, 2H); 3.16 (t, J=6.0 Hz, 2H); 2.55-2.46 (m, 4H); 1.58 (d, J=6.6 Hz, 6H). LCMS: RT=5.70 min, M+H+=452
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08242104B2 |
| Source dataset | uspto-grants-2012_08 |
| ORD ID | ord-ee9ed79cbddf460dba099fc7c116735b |
| Source note | uspto-grants-2012_08 |