Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 489853Generated: October 25, 2026

Acetonitrile → 3-Iodobenzoylacetonitrile

https://huagongshe.com/reaction/489853

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcetonitrileHCID 6342—
ReactantDiisopropylamineHCID 7912—
ReactantTetrahydrofuranHCID 8028—
ReactantAmmonium ChlorideHCID 25517—
ReactantEthyl 4-iodobenzoateHCID 142891—
ReactantLithium diisopropylamideHCID 2724682—
ReactantButyllithiumHCID 178418339—
Product3-IodobenzoylacetonitrileHCID 11623179—

Reaction Conditions

Temperature-50 °C

Reaction Steps

n-Butyllithium (30.5 ml, 76 mmol, 2.5 M solution in hexane) was added dropwise to a cooled (0° C.) solution of diisopropylamine (10.6 ml, 76 mmol) in 10 ml dry tetrahydrofuran. Once addition was complete, the solution was kept at 0° C. for 10 minutes and was then cooled to −50° C. This cold LDA solution was then added to a −50° C. solution of acetonitrile (2.37 ml, 45.3 mmol) and ethyl 4-iodobenzoate (10.0 g, 36.2 mmol) in dry tetrahydrofuran (18 ml). Once addition was complete, the reaction was stirred at −50° C. for 3 hours and was subsequently warmed to 0° C. Saturated ammonium chloride was added (20 ml) and the reaction mixture was allowed to warm to room temperature. The product was extracted into ether and washed with 1N hydrochloric acid (50 ml). The organics were washed with brine (50 ml), dried over MgSO4 and then concentrated in vacuo to a red oil. The oil was purified through a small plug of silica gel using 3:1-2:1 hexanes/ethyl acetate as eluent. Concentration of the column fractions in vacuo gave 2-(3-iodobenzoyl)-acetonitrile (8.3 g) as a yellow oil.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS06979693B2
Source datasetuspto-grants-2005_12
ORD IDord-ac2908809536465282098e9b8f1f3314
Source noteuspto-grants-2005_12