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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1503586Generated: October 30, 2026

Potassium Carbonate → 2-(3-nitro-1H-1,2,4-triazol-1-yl)-5-vinylbenzonitrile

https://huagongshe.com/reaction/1503586

Reaction equation

Participants

RoleNameHCIDCharge
ReactantPotassium CarbonateHCID 11430—
Reactant5-formyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)benzonitrileHCID 86675215—
CatalystMethyltriphenyliphosphonium bromideHCID 74505—
Solvent1,4-DioxaneHCID 31275—
Product2-(3-nitro-1H-1,2,4-triazol-1-yl)-5-vinylbenzonitrileHCID 8667521670%

Reaction Conditions

Temperature100 °C

Reaction Steps

To a stirred solution of 5-formyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)benzonitrile (0.36 g, 1.49 mmol) in 1,4-dioxane (25 mL), were added K2CO3 (0.3 g, 2.2 mmol) and methyl triphenyl phosphonium bromide (0.63 g, 1.79 mmol). The resultant reaction mixture was heated to 100° C. for 18 h. After completion of the reaction (TLC), the reaction mixture was cooled to room temperature and filtered and the obtained filtrate was concentrated under reduced pressure. Purification by flash chromatography (SiO2, 100-200 mesh; 25-30% EtOAc in petroleum ether) to afford the title compound as a solid (0.25 g, 70%): mp 103-105° C.; 1H NMR (400 MHz, DMSO-d6) δ 9.50 (s, 1H), 8.34 (m, 1H), 7.98 (d, J=7.8 Hz, 1H), 7.68 (d, J=7.8 Hz, 1H), 6.87 (m, 1H), 6.20 (d, J=15.7 Hz, 1H), 5.56 (d, J=11.8 Hz, 1H); ESIMS m/z 240.27 ([M−H]−); IR (thin film) 2240, 1514, 1312 cm−1.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09212163B2
Source datasetuspto-grants-2015_12
ORD IDord-712fed1ca18348ce8d8d463090b1747d
Source noteuspto-grants-2015_12