HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(Piperazin-1-yl)benzonitrile → 4-(4-((8-Cyclopropyl-2-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)methyl)piperazin-1-yl)benzonitrile
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 4-(Piperazin-1-yl)benzonitrile | HCID 2733995 | — |
| Reactant | HCID 86664220 | HCID 86664220 | — |
| Product | 4-(4-((8-Cyclopropyl-2-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)methyl)piperazin-1-yl)benzonitrile | HCID 66716791 | — |
Reaction Steps
Using 346A and 4-(piperazin-1-yl)benzonitrile in the general procedure for reductive aminations, the title compound was obtained as a white solid: 1H NMR (400 MHz, DMSO-d6) δ ppm 0.58-0.71 (m, 2H) 0.85-0.96 (m, 2H) 1.42 (d, J=6.82 Hz, 3H) 2.05-2.12 (m, 1H) 2.38-2.48 (m, 4H) 3.27-3.32 (m, 4H) 3.36 (s, 2H) 4.64 (q, J=6.74 Hz, 1H) 6.41 (d, J=1.52 Hz, 1H) 6.68 (d, J=1.77 Hz, 1H) 7.00 (m, J=9.09 Hz, 2H) 7.57 (m, 2H) 10.56 (br. s., 1H). ESI-MS: m/z 403.4 (M+H)+. mp=194.3-195.5° C.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08669249B2 |
| Source dataset | uspto-grants-2014_03 |
| ORD ID | ord-2b950c7527934eed8ecce726ed85f82d |
| Source note | uspto-grants-2014_03 |