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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1674427Generated: October 31, 2026

1,1'-Carbonyldiimidazole → 3-[4-(1,4-dioxaspiro[4.5]dec-8-yloxy)phenyl]-2-ethyl-5-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-6-propylpyrimidin-4(3H)-one

https://huagongshe.com/reaction/1674427

Reaction equation

Participants

RoleNameHCIDCharge
Reactant1,1'-CarbonyldiimidazoleHCID 68263—
Reactant1,8-Diazabicyclo(5.4.0)undec-7-eneHCID 81184—
ReactantHydroxyamine hydrochlorideHCID 443297—
ReactantSodium BicarbonateHCID 516892—
ReactantHCID 59469503HCID 59469503—
SolventDimethyl SulfoxideHCID 679—
SolventWaterHCID 962—
SolventEthyl AcetateHCID 8857—
Product3-[4-(1,4-dioxaspiro[4.5]dec-8-yloxy)phenyl]-2-ethyl-5-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-6-propylpyrimidin-4(3H)-oneHCID 13614678764.3%

Reaction Conditions

Temperature40 °C

Reaction Steps

A suspension of hydroxylamine hydrochloride (5.14 g) and sodium hydrogen carbonate (7.31 g) in dimethyl sulfoxide (30 mL) was stirred at 40° C. for 30 min, and then 4′-({1-[4-(1,4-dioxaspiro[4.5]dec-8-yloxy)phenyl]-2-ethyl-6-oxo-4-propyl-1,6-dihydropyrimidin-5-yl}methyl)biphenyl-2-carbonitrile (5.13 g) was added to the mixture, and the mixture was stirred at 90° C. for 12 hr. Water was added to the reaction mixture, and the precipitated solid was collected by filtration. The obtained solid was dissolved in ethyl acetate. The solution was washed with saturated brine and dried over anhydrous sodium sulfate, and the solvent was evaporated. The residue was dissolved in tetrahydrofuran (40 mL), and then 1,1′-carbonyldiimidazole (2.12 g, 13.1 mmol) and 1,8-diazabicyclo[5,4,0]undec-7-ene (2.0 mL, 13.1 mmol) were added thereto. The mixture was stirred at room temperature for 2 hr. The reaction mixture was diluted with ethyl acetate, and the mixture was successively washed with water and saturated brine, dried over anhydrous magnesium sulfate and concentrated in vacuo. The residue was purified by column chromatography on silica gel to give the title compound as a pale yellow amorphous solid (3.63 g, 64%).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07998968B2
Source datasetuspto-grants-2011_08
ORD IDord-66287a34509640b495bcbc161be001f3
Source noteuspto-grants-2011_08