HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 525245Generated: November 1, 2026
Potassium Carbonate → 5-{[(3S)-1-(2,2-dimethylpropanoyl)-3-pyrrolidinyl]methyl}-4-[4-(7-quinolinyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
https://huagongshe.com/reaction/525245
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Potassium Carbonate | HCID 11430 | — |
| Reactant | 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)Quinoline | HCID 59296116 | — |
| Reactant | HCID 67355705 | HCID 67355705 | — |
| Catalyst | HCID 178418807 | HCID 178418807 | — |
| Solvent | 1,4-Dioxane | HCID 31275 | — |
| Product | 5-{[(3S)-1-(2,2-dimethylpropanoyl)-3-pyrrolidinyl]methyl}-4-[4-(7-quinolinyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one | HCID 68261485 | 38.8% |
Reaction Steps
A solution of 4-(4-bromophenyl)-5-{[(3S)-1-(2,2-dimethylpropanoyl)-3-pyrrolidinyl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one (0.277 mmol) in dioxane (2 mL) was treated with 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (0.294 mmol), dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II)-dichloromethane adduct (20 mg), and 2M aq potassium carbonate (1 mL). The reaction mixture was purged with nitrogen, sealed, and stirred at 110° C. for 1 h. The reaction mixture was cooled to room temperature, diluted with water, neutralized with the dropwise addition of 6N aq HCl, and extracted with ethyl acetate. The organic layer was dried over sodium sulfate, filtered, and concentrated in vacuo. The residue was purified by reverse phase HPLC (10-70% acetonitrile/water+0.1% NH4OH) and then reverse phase HPLC (10-40% acetonitrile w/0.1% TFA/water w/0.1% TFA). The combined product fractions were concentrated in vacuo for 30 min to remove the acetonitrile. The aqueous solution was neutralized with the addition of saturated aqueous sodium bicarbonate and extracted with dichloromethane (2×). The combined organic layers were dried over sodium sulfate, filtered, and concentrated in vacuo to afford the title compound (49 mg, 38% yield). MS(ES)+ m/e 456.0 [M+H]+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| Patent number | US09340529B2 |
|---|
| Source dataset | uspto-grants-2016_05 |
|---|
| ORD ID | ord-dad73dcd702c4f6089684c5fda9fc075 |
|---|
| Source note | uspto-grants-2016_05 |
|---|