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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2048644Generated: October 30, 2026

Cesium carbonate → HCID 136063948, compound

https://huagongshe.com/reaction/2048644

Reaction equation

Participants

RoleNameHCIDCharge
ReactantCesium carbonateHCID 10796—
ReactantHydroxylamine HClHCID 21645—
ReactantPropane, 1-iodo-2,2-dimethyl-HCID 84953—
ReactantSodium BicarbonateHCID 516892—
Reactant4'-[(2-Methyl-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]biphenyl-2-carbonitrileHCID 136041272—
SolventDimethyl SulfoxideHCID 679—
SolventEthyl AcetateHCID 8857—
SolventDimethylacetamideHCID 31374—
ProductHCID 136063948HCID 13606394820%

Reaction Conditions

Temperature130 °C

Reaction Steps

A mixture of 4′-[(2-methyl-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]biphenyl-2-carbonitrile (0.8 g), 1-iodo-2,2-dimethylpropane (0.79 mL), cesium carbonate (1.3 g) and N,N-dimethylacetamide (10 mL) was stirred at 130° C. for 2 hr. The reaction mixture was diluted with ethyl acetate, and the mixture was washed with 5% aqueous potassium hydrogensulfate solution and then with saturated brine, and dried over anhydrous magnesium sulfate. The solvent was evaporated under reduced pressure. The residue obtained by silica gel column chromatography was dissolved in dimethyl sulfoxide (5 mL), and the mixture was added to a mixture of hydroxylammonium chloride (0.38 g), sodium hydrogen carbonate (0.88 g) and dimethyl sulfoxide (10 mL), which had been stirred in advance at 40° C. for 30 min. The reaction mixture was stirred at 90° C. for 16 hr, and diluted with ethyl acetate, and the mixture was washed with water and then with saturated brine, and dried over anhydrous magnesium sulfate. The solvent was evaporated under reduced pressure, and the residue was purified by silica gel column chromatography, and dissolved in tetrahydrofuran (15 mL). N,N′-Carbonyldiimidazole (0.16 g) and then 1,8-diazabicyclo[5.4.0]undec-7-ene (0.14 mL) were added, and the mixture was stirred at room temperature for 2 hr. The reaction mixture was diluted with ethyl acetate, and the mixture was washed with saturated aqueous potassium hydrogensulfate solution and then with saturated brine, and dried over anhydrous magnesium sulfate. The solvent was evaporated under reduced pressure, and the residue was purified by silica gel column chromatography to give the title compound as a colorless solid (0.2 g, 20%).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08592431B2
Source datasetuspto-grants-2013_11
ORD IDord-90f240a7709146099f185bff7c6b4429
Source noteuspto-grants-2013_11