HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,4-Diazepan-5-one → 1-[5-Bromo-4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-5-one
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 1,4-Diazepan-5-one | HCID 2737264 | — |
| Reactant | 5-Bromo-2-chloro-4-(trifluoromethyl)pyrimidine | HCID 11425490 | — |
| Product | 1-[5-Bromo-4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-5-one | HCID 89923977 | 82.3% |
Reaction Steps
Synthesised from 5-bromo-2-chloro-4-(trifluoromethyl)pyrimidine (1.14 g, 4.35 mmol) and 1,4-diazepan-5-one (490 mg, 4.30 mmol) in accordance with General Method B, giving the title compound (1.20 g, 81%) as a white solid. δH (300 MHz, DMSO-d6) 8.79 (s, 1H), 7.71 (t, J 4.8 Hz, 1H), 3.90 (m, 4H), 3.21 (m, 2H), 2.54 (m, 2H). LC-MS (pH 3) MH+ m/z 339.0, RT 1.93 minutes. LC-MS (pH 10) MH+ m/z 339.0, RT 1.91 minutes.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09309243B2 |
| Source dataset | uspto-grants-2016_04 |
| ORD ID | ord-ee2ff09166a94b6c9a24ce8b8662371f |
| Source note | uspto-grants-2016_04 |