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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1502899Generated: October 30, 2026

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

https://huagongshe.com/reaction/1502899

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 ambient 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 numberUS09211280B2
Source datasetuspto-grants-2015_12
ORD IDord-6853e3233d9a4b4a83ab350c6228fdd0
Source noteuspto-grants-2015_12