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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 545258Generated: October 29, 2026

Propargyl bromide → HCID 86616120, compound

https://huagongshe.com/reaction/545258

Reaction equation

Participants

RoleNameHCIDCharge
ReactantPropargyl bromideHCID 7842—
ReactantSodium hydrideHCID 24758—
ReactantSodium BicarbonateHCID 516892—
ReactantAmmonium formateHCID 2723923—
Reactant1-[6-(2-Hydroxypropan-2-yl)pyridin-2-yl]-6-(methylsulfanyl)-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-oneHCID 67170189—
CatalystBis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);dichloropalladium;iron(2+)HCID 178418228—
SolventWaterHCID 962—
SolventDimethylformamideHCID 6228—
SolventTetrahydrofuranHCID 8028—
ProductHCID 86616120HCID 8661612051.1%

Reaction Conditions

Temperature90 °C

Reaction Steps

440 mg of ammonium formate and 230 mg of [1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloride were added to tetrahydrofuran (13.6 mL) solution of 500 mg of 2-allyl-1-[6-(1-hydroxy-1-methylethyl)-2-pyridinyl]-6-(methylthio)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one produced in Example 53, and stirred at 90° C. for 3 hours. The reaction liquid was cooled to room temperature, distilled water was added thereof, and extracted with a mixed solution of chloroform/isopropanol (80/20). This was dried with anhydrous sodium sulfate, and the solvent was evaporated away under reduced pressure to obtain 770 mg of a black amorphous substance. 61.0 mg of sodium hydride was added to N,N-dimethylformamide (14.0 mL) solution of the resulting compound, and stirred for 30 minutes. 0.316 mL of propargyl bromide was added to the reaction solution, and stirred for 3.5 hours. Aqueous saturated sodium hydrogencarbonate solution and saturated saline water were added to the reaction liquid, and extracted with a mixed solution of chloroform/isopropanol (80/20). This was dried with anhydrous sodium sulfate, and the solvent was evaporated away under reduced pressure to obtain a black amorphous substance. The resulting amorphous substance was purified through silica gel column chromatography (hexane/ethyl acetate) to obtain 254 mg of the entitled compound as a white compound.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07935708B2
Source datasetuspto-grants-2011_05
ORD IDord-81ff4026ac7947a5856b63e2dcb23fe7
Source noteuspto-grants-2011_05