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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 84577Generated: October 25, 2026

Toluene → 3-(9-bromo-4,5-dihydrobenzo[b]thieno[2,3-d]oxepin-2-yl)-4-(2,4-difluorophenyl)-4H-1,2,4-triazole

https://huagongshe.com/reaction/84577

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTolueneHCID 1140—
ReactantDimethylformamide dimethyl acetalHCID 78373—
Reactant2,4-Difluorophenylhydrazine hydrochlorideHCID 2733301—
Reactant9-Bromo-4,5-dihydro-6-oxa-1-thia-benzo[e]azulene-2-carboxylic acid amideHCID 66868537—
SolventAcetic AcidHCID 176—
SolventWaterHCID 962—
SolventDichloromethaneHCID 6344—
Product3-(9-bromo-4,5-dihydrobenzo[b]thieno[2,3-d]oxepin-2-yl)-4-(2,4-difluorophenyl)-4H-1,2,4-triazoleHCID 57900350—

Reaction Conditions

Temperature100 °C

Reaction Steps

A mixture of 9-bromo-4,5-dihydro-6-oxa-1-thia-benzo[e]azulene-2-carboxylic acid amide (340 mg), dimethylformamide dimethyl acetal (3 ml) and toluene (2.5 mL) was heated to 100° C. for 16 hours. The solvent was then reduced in vacuo and dissolved in acetic acid (3 ml) and water (0.3 mL) and to this was added 2,4-difluorophenylhydrazine hydrochloride (265 mg). The reaction mixture was heated to 100° C. for 3 hours. The reaction mixture was then cooled, and then diluted with dichloromethane, washed with sodium carbonate solution, dried (MgSO4) and the solvent removed in vacuo. Purification using flash chromatography yielded 293. NMR: (CDCl3): 3.15 (2H, t), 4.31 (2H, t), 6.82 (1H, d), 6.86 (1H, s), 7.08-7.13 (2H, m), one proton under chloroform peak, 7.72 (1H, s), 8.10 (1H, s)

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08846762B2
Source datasetuspto-grants-2014_09
ORD IDord-ff093e2220954d88a849f3cf1d470fa2
Source noteuspto-grants-2014_09