HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-{4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazin-1-yl}-2-[4-(1H-tetrazol-1-yl)phenyl]ethanone → 6-Fluoro-2-methyl-3-[2-(4-{[4-(1H-tetrazol-1-yl)phenyl]acetyl}piperazin-1-yl)ethyl]benzonitrile
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 1-{4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazin-1-yl}-2-[4-(1H-tetrazol-1-yl)phenyl]ethanone | HCID 57331241 | — |
| Reactant | 1-(piperazin-1-yl)-2-[4-(1H-tetrazol-1-yl)phenyl]ethanone hydrochloride | HCID 67517236 | — |
| Reactant | 6-Fluoro-2-methyl-3-(2-oxoethyl)benzonitrile | HCID 86693041 | — |
| Product | 6-Fluoro-2-methyl-3-[2-(4-{[4-(1H-tetrazol-1-yl)phenyl]acetyl}piperazin-1-yl)ethyl]benzonitrile | HCID 67518264 | — |
Reaction Steps
6-Fluoro-2-methyl-3-[2-(4-{[4-(1H-tetrazol-1-yl)phenyl]acetyl}piperazin-1-yl)ethyl]benzonitrile was prepared from 6-fluoro-2-methyl-3-(2-oxoethyl)benzonitrile and 1-(piperazin-1-yl)-2-[4-(1H-tetrazol-1-yl)phenyl]ethanone hydrochloride in an analogous fashion to that described for 1-{4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazin-1-yl}-2-[4-(1H-tetrazol-1-yl)phenyl]ethanone (General Method C). 1H-NMR (400 MHz, CD3OD) δ 9.89 (s, 1H), 7.76˜7.78 (m, 2H), 7.51˜7.55 (m, 1H), 7.40˜7.42 (m, 2H), 7.21˜7.25 (m, 1H), 4.44˜4.45 (m, 1H), 4.16˜4.17 (m, 1H), 3.84 (s, 2H), 3.38˜3.56 (m, 2H), 2.98˜3.01 (m, 4H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09056859B2 |
| Source dataset | uspto-grants-2015_06 |
| ORD ID | ord-ecc7a82bee014b729240f823c3179a16 |
| Source note | uspto-grants-2015_06 |