HuagongsheHuagongshe Chemistry Print Report · For research reference only
Trifluoroacetic acid → 1-{2-[6-(1,4-Oxazepan-4-yl)pyrimidin-4-yl]-3-oxo-2,3-dihydro-1H-pyrazol-4-yl}-1H-1,2,3-triazole-4-carbonitrile
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Trifluoroacetic acid | HCID 6422 | — |
| Reactant | 4-(6-Hydrazinylpyrimidin-4-yl)-1,4-oxazepane | HCID 57925070 | — |
| Reactant | Ethyl 2-(4-cyanotriazol-1-yl)-3-(dimethylamino)prop-2-enoate | HCID 66725972 | — |
| Solvent | Water | HCID 962 | — |
| Product | 1-{2-[6-(1,4-Oxazepan-4-yl)pyrimidin-4-yl]-3-oxo-2,3-dihydro-1H-pyrazol-4-yl}-1H-1,2,3-triazole-4-carbonitrile | HCID 57925066 | — |
Reaction Conditions
| Temperature | 100 °C |
|---|
Reaction Steps
A mixture of 200 mg (0.9 mmol) of the compound from Example 7A, 178 mg (0.9 mmol) of the compound from Example 14A and 33 ml (49 mg, 0.4 mmol) of trifluoroacetic acid in 3 ml of water is stirred at 100° C. for 16 h. The precipitated solid is filtered off and washed first with water and then with diethyl ether. The product is dried under reduced pressure. Yield: 80 mg (27% of theory) LC-MS (Method 4): Rt=1.40 min; MS (ESIpos): m/z=354 [M+H]+;
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08580778B2 |
| Source dataset | uspto-grants-2013_11 |
| ORD ID | ord-cd47685969344b759f6d28e957af118e |
| Source note | uspto-grants-2013_11 |