HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 525204Generated: November 1, 2026
Potassium Carbonate → 5-{[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl}-4-(3,4'-difluoro-4-biphenylyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
https://huagongshe.com/reaction/525204
Participants
| Role | Name | HCID | Charge |
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| Reactant | Potassium Carbonate | HCID 11430 | — |
| Reactant | 4-Fluorophenylboronic acid | HCID 285645 | — |
| Reactant | 4-(4-bromo-2-fluorophenyl)-5-{[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one | HCID 67375886 | — |
| Catalyst | HCID 178418807 | HCID 178418807 | — |
| Solvent | 1,4-Dioxane | HCID 31275 | — |
| Product | 5-{[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl}-4-(3,4'-difluoro-4-biphenylyl)-2,4-dihydro-3H-1,2,4-triazol-3-one | HCID 67377367 | 61% |
Reaction Steps
A solution of 4-(4-bromo-2-fluorophenyl)-5-{[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one (0.244 mmol) in dioxane (1.5 mL) was treated with (4-fluorophenyl)boronic acid (0.269 mmol), dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II)-dichloromethane adduct (10 mg), and 2M aq potassium carbonate (0.733 mmol). The reaction mixture was purged with nitrogen, sealed, and irradiated in a microwave (Biotage Initiator) at 150° C. for 10 min. The reaction mixture was cooled to room temperature and was diluted with water (50 mL). The aqueous layer was acidified to pH˜4 using 1N aq HCl and was extracted with dichloromethane. The organic layer was dried over magnesium sulfate, treated with Si-Thiol (Silicycle, 20 mg), filtered, and concentrated in vacuo. The crude residue was purified by reverse phase HPLC (20-50% acetonitrile/water+0.1% NH4OH) to afford the title compound as an off-white solid (61%). MS(ES)+ m/e 425.0 [M+H]+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09340529B2 |
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| Source dataset | uspto-grants-2016_05 |
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| ORD ID | ord-1fd1a6541dcf4bc98ea06fa9bc353697 |
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| Source note | uspto-grants-2016_05 |
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