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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 518594Generated: November 3, 2026

Acetonitrile → HCID 178501201, compound

https://huagongshe.com/reaction/518594

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcetonitrileHCID 6342—
ReactantDiisopropylethylamineHCID 81531—
Reactant4-Chloro-3-nitropyridineHCID 2735781—
ReactantHCID 178472433HCID 178472433—
SolventWaterHCID 962—
SolventDichloromethaneHCID 6344—
ProductHCID 178501201HCID 17850120176%

Reaction Conditions

Temperature60 °C

Reaction Steps

A round bottom flask under nitrogen atmosphere was charged with 4-chloro-3-nitropyridine (1.65 g, 10.41 mmol), cis-ethyl 4-aminocyclohexanecarboxylate (2.454 g, 15.61 mmol), and ACN (26 mL). To the mixture was added DIPEA (3.63 mL, 20.81 mmol). The resulting mixture was stirred at 60° C. for 17 hours. The reaction was stopped, cooled to RT and diluted with water (20 mL) and DCM (50 mL). The layers were separated, and the organic layer was collected, dried over sodium sulfate and concentrated to afford an orange oil. The oil was purified by silica gel chromatography to afford the title compound (2.2 g, 76% yield) as a bright yellow solid. MS m/z=280.2 [M+H]. Calc'd for C13H17N3O4: 279.1.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09115127B2
Source datasetuspto-grants-2015_08
ORD IDord-60184fe277274f098705ff142f38a7af
Source noteuspto-grants-2015_08