Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Phosphoric Acid | HCID 1004 | — |
| Reactant | 2,2,2-Trifluoroethanol | HCID 6409 | — |
| Reactant | Sodium hydride | HCID 24758 | — |
| Reactant | 4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine | HCID 838363 | — |
| Reactant | HCID 15279441 | HCID 15279441 | — |
| Solvent | Water | HCID 962 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Product | HCID 15279442 | HCID 15279442 | 17.2% |
Reaction Steps
2.0 g of 2,2,2-trifluoroethanol are introduced into 80 ml of dimethylformamide and 0.60 g of 80% strength sodium hydride is added at room temperature. After 1 h, a clear solution has formed and 5.0 g of 2,2-dimethyl-5-trimethylsilylethynyl-4H-(1,3)benzodioxin-4-one are added at room temperature. After 20 min, 4.0 g of 4,6-dimethoxy-2-methylsulfonylpyrimidine are added and the reaction solution is stirred overnight at room temperature. It is then poured into 400 ml of water containing phosphoric acid (pH 3) at 0° C. and extracted with methyl tert-butyl ether, and the combined organic phases are washed with water, dried over sodium sulfate and concentrated. 6.4 g of crude product remain, which is chromatographed on silica gel using n-hexane/ethyl acetate. A colorless oil (1.2 g) is obtained. 1H-NMR (CDCl3): δ=3.33 (s); 3.83 (s); 4.55 (q); 5.80 (s); 7.25-7.50 (m).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| Patent number | US05777118 |
|---|
| Source dataset | uspto-grants-1998_07 |
|---|
| ORD ID | ord-86f65d22f7bf4668a79f8f5287c6fbc3 |
|---|
| Source note | uspto-grants-1998_07 |
|---|