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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1188471Generated: November 4, 2026

Acetonitrile → HCID 86620674, compound

https://huagongshe.com/reaction/1188471

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcetonitrileHCID 6342—
ReactantCesium carbonateHCID 10796—
Reactant3-(Chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazoleHCID 2736622—
ReactantHCID 67405122HCID 67405122—
SolventEthyl AcetateHCID 8857—
ProductHCID 86620674HCID 8662067476%

Reaction Conditions

Temperature75 °C

Reaction Steps

A mixture of 2-butyl-4-(trifluoromethyl)-1H-indole-5-carbonitrile (0.050 g, 0.19 mmol), 3-(chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (0.054 g, 0.21 mmol), Cs2CO3 (0.067 g, 0.21 mmol) and CH3CN (4 mL) was stirred at 75° C. for 1.5 h. The mixture was diluted with EtOAc (25 mL), washed with water (15 mL), and brine (15 mL). Drying (MgSO4) and filtration was followed by concentration. The resulting material was treated with 10% Et2O in hexanes (10 mL) and stirred for 2 h. The resulting solid was filtered, rinsed with hexanes and dried to afford the title compound (0.070 g, 76%) as an off-white solid: 1H NMR (400 MHz, DMSO-d6) δ 8.30 (d, J=7.8 Hz, 1H), 8.23 (s, 1H), 8.06 (d, J=7.8 Hz, 1H), 8.03 (d, J=8.6 Hz, 1H), 7.84 (t, J=7.8 Hz, 1H), 7.75 (d, J=8.6 Hz, 1H), 6.58 (s, 1H), 5.88 (s, 2H), 2.92 (t, J=7.5 Hz, 2H), 1.74-1.66 (m, 2H), 1.44-1.35 (m, 2H), 0.90 (t, J=7.4 Hz, 3H); MS m/z 493 (M+H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08673948B2
Source datasetuspto-grants-2014_03
ORD IDord-b275640b9a6e4ccba36f727eee085b5c
Source noteuspto-grants-2014_03