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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2056248Generated: November 1, 2026

Acetonitrile → HCID 11723338, compound

https://huagongshe.com/reaction/2056248

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcetonitrileHCID 6342—
ReactantTriethylamineHCID 8471—
Reactant3-Cyanophenylboronic acidHCID 2734325—
Reactant6-Ethyl-2-(trifluoromethyl)-1H-purineHCID 45095225—
CatalystCupric acetateHCID 8895—
SolventEthyl AcetateHCID 8857—
ProductHCID 11723338HCID 1172333819%

Reaction Conditions

Temperature52.5 °C

Reaction Steps

A mixture of 6-ethyl-2-trifluoromethylpurine (86 mg, 0.40 mmol), 3-cyanophenylboronic acid (103 mg, 0.70 mmol), copper (II) acetate (72 mg, 0.4 mmol), triethylamine (202 mg, 2.0 mmoL), anhydrous acetonitrile (5 ml) and molecular sieves (˜10 pellets) was stirred at 50-55° C. for 18 hours. Ethyl acetate (20 ml) was added and the solid was filtered off. The filtrate was washed with 20 ml of 5% aqueous sodium bicarbonate, concentrated under vacuum, and purified by chromatography over SiO2 (ethyl acetate/hexane 1:3) to give 24 mg of 9-(3-cyanophenyl)-6-ethyl-2-trifluoromethylpurine (yield 19%). 1H NMR (300 MHz, CDCl3) δ 8.50 (s, 1H), 8.11 (m, 2H), 7.82(m, 2H), 3.35 (q, J=7.5 Hz, 2H), 1.50 (t, J=7.5 Hz, 3H). [ESMS m/z (318.4 (M+H)+)]

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07335654B2
Source datasetuspto-grants-2008_02
ORD IDord-3fe03f1bac6a4f8393590cdbf21da877
Source noteuspto-grants-2008_02