HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ammonia → 5-(3,4-Difluorophenyl)-3-(pyrimidin-5-yl)isoxazole
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Ammonia | HCID 222 | — |
| Reactant | 3,4-Difluorophenylacetylene | HCID 13878454 | — |
| Reactant | N-Hydroxypyrimidine-5-carbimidoyl chloride | HCID 86636847 | — |
| Product | 5-(3,4-Difluorophenyl)-3-(pyrimidin-5-yl)isoxazole | HCID 44546482 | — |
Reaction Steps
The titled compound was prepared as the hydrochloride salt according to Method CB using the product of Example 44B (79 mg, 0.5 mmol) and 4-ethynyl-1,2-difluorobenzene (Apollo, 69 mg, 0.5 mmol). 1H NMR (300 MHz, DMSO-d6) δ 7.71 (ddd, J=10.5, 8.3, 8.3 Hz, 1H), 7.77-7.86 (m, 2H), 8.04 (ddd, J=11.4, 7.6, 2.0 Hz, 1 H), 9.31 (s, 2H), 9.35 (s, 1H) ppm; MS (DCI/NH3) m/z 260 (M+H)+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08383658B2 |
| Source dataset | uspto-grants-2013_02 |
| ORD ID | ord-6f037090e1d441efb2bc86e676403ea8 |
| Source note | uspto-grants-2013_02 |