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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1800022Generated: November 1, 2026

Ethyl Acetate → 2-bromo-1-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]ethan-1-one

https://huagongshe.com/reaction/1800022

Reaction equation

Participants

RoleNameHCIDCharge
ReactantEthyl AcetateHCID 8857—
Reactant1-(1-Isopropyl-1H-1,2,4-triazol-5-YL)ethanoneHCID 14978339—
ReactantPhenyltrimethylammonium bromide dibromideHCID 17977687—
SolventAcetic AcidHCID 176—
SolventTetrahydrofuranHCID 8028—
SolventCyclohexaneHCID 8078—
Product2-bromo-1-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]ethan-1-oneHCID 5820448936%

Reaction Conditions

Temperature75 °C

Reaction Steps

To a solution of 1-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-ethanone (10 g, 65.3 mmol) in acetic acid (1 mL) and THF (100 mL) was added a solution of PTT (phenyltrimethylammonium tribromide, 24.5 g, 65.3 mmol) in THF (100 mL) over 20 min. The reaction mixture was heated at 75° C. before cooling to RT. The resultant mixture was concentrated in vacuo and the products partitioned between ethyl acetate and saturated aqueous sodium bicarbonate solution. The organic layer was separated, dried (Na2SO4), filtered and concentrated in vacuo to give a residue which was subjected to flash chromatography (SiO2, gradient 0 to 20% ethyl acetate in cyclohexane) to give 2-Bromo-1-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-ethanone as an oil (5.4 g, 36%). 1H NMR δ (ppm) (CDCl3): 7.98 (1H, s), 5.53-5.42 (1H, m), 4.69 (2H, s), 1.52 (6H, d, J=6.63 Hz).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08343955B2
Source datasetuspto-grants-2013_01
ORD IDord-fb988fc9201b47f996ae06e4bff97949
Source noteuspto-grants-2013_01