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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 388143Generated: October 31, 2026

Ethyl Acetate → HCID 66699756, compound

https://huagongshe.com/reaction/388143

Reaction equation

Participants

RoleNameHCIDCharge
ReactantEthyl AcetateHCID 8857—
Reactant1,4-DioxaneHCID 31275—
ReactantHexamethylditinHCID 6327618—
ReactantHCID 66699960HCID 66699960—
ReactantHCID 86626416HCID 86626416—
CatalystHCID 178418397HCID 178418397—
ProductHCID 66699756HCID 6669975662%

Reaction Conditions

Temperature100 °C

Reaction Steps

1-(2-(Tetrahydro-2H-pyran-4-yl)ethyl)-6-(trimethylstannyl)-1H-imidazo[4,5-b]pyrazin-2(3H)-one. 6-Bromo-1-(2-(tetrahydro-2H-pyran-4-yl)ethyl)-1H-imidazo[4,5-b]pyrazin-2(3H)-one (1.00 g, 3.06 mmol), hexamethylditin (1.20 g, 3.67 mmol), tetrakis(triphenylphosphine)palladium(0) (0.71 g, 0.61 mmol), and 1,4-dioxane (10 mL) were combined in a 150 mL sealable vessel with a stirbar. Nitrogen was blown into the vessel to blow out air and the vessel was sealed. The resulting reaction mixture was stirred vigorously and heated at 100° C. for 5 h and then cooled to room temperature. The resulting mixture was diluted with ethyl acetate and filtered through Celite. The filter cake was washed thoroughly with ethyl acetate. The filtrate was concentrated on a rotary evaporator. Flash chromatography (30-60% ethyl acetate in hexane) gave the desired product (783 mg, 62%) as a yellow waxy solid. Rf=0.20 (50% ethyl acetate/hexane); 1H NMR (400 MHz, DMSO-d6) δ 11.84 (s, 1H), 7.88 (s, 1H), 3.87 (t, J=6.64, 2H), 3.80 (dd, J=11.32, 3.12, 2H), 3.18 (t, J=10.93, 2H), 1.60-1.73 (m, 4H), 1.33-1.46 (m, 1H), 1.08-1.23 (m, 2H), 0.31 (s, 9H); MS (ESI) m/z 413[M+1]+.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08372976B2
Source datasetuspto-grants-2013_02
ORD IDord-d1e29d4e02c448e6a691b4c9a1f5c094
Source noteuspto-grants-2013_02