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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1787731Generated: October 30, 2026

Acetonitrile → 4,4-dimethyl-3-oxohexanenitrile

https://huagongshe.com/reaction/1787731

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcetonitrileHCID 6342—
ReactantSodium hydrideHCID 24758—
ReactantEthyl 2,2-dimethylbutanoateHCID 12647075—
SolventHydrochloric AcidHCID 313—
SolventTetrahydrofuranHCID 8028—
Product4,4-dimethyl-3-oxohexanenitrileHCID 1178928027%

Reaction Conditions

Temperature60 °C

Reaction Steps

A suspension of sodium hydride (60% dispersion in mineral oil, 3.18 g, 79.4 mmol) in tetrahydrofuran (60 mL) was heated at 60° C. for 1 hour. The reaction mixture was then cooled to room temperature, acetonitrile (4.2 mL, 79.4 mmol) and 2,2-dimethyl-butyric acid ethyl ester [(7.95 g, 61 mmol), J. Am. Chem. Soc., 1942, 64, 2964] in tetrahydrofuran (100 mL) were added and the mixture was stirred for 4 hours at 25° C. The mixture was then diluted with 1M hydrochloric acid (100 mL) and the aqueous layer was separated and extracted with ethyl acetate. The organic solution was then dried over magnesium sulfate, concentrated in vacuo and the residue was triturated with heptane to afford the title compound as a pale brown solid in 27% yield, 2.3 g.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07511057B2
Source datasetuspto-grants-2009_03
ORD IDord-7b6dba70722745b3994f6a6f7a3b80a5
Source noteuspto-grants-2009_03