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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1664550Generated: October 29, 2026

N-bromobutanimide → 7-bromo-9-pentyl-3-(trifluoromethyl)-6,9-dihydro-5H-[1,2,4]triazolo[4,3-a]purin-5-one

https://huagongshe.com/reaction/1664550

Reaction equation

Participants

RoleNameHCIDCharge
ReactantN-bromobutanimideHCID 67184—
Reactant9-pentyl-3-(trifluoromethyl)-6,9-dihydro-5H-[1,2,4]triazolo[4,3-a]purin-5-oneHCID 57600302—
SolventTetrahydrofuranHCID 8028—
Product7-bromo-9-pentyl-3-(trifluoromethyl)-6,9-dihydro-5H-[1,2,4]triazolo[4,3-a]purin-5-oneHCID 25059140—

Reaction Conditions

Temperature70 °C

Reaction Steps

To the mixture of 9-pentyl-3-(trifluoromethyl)-6,9-dihydro-5H-[1,2,4]triazolo[4,3-a]purin-5-one (50 mg, 0.16 mmol) in tetrahydrofuran (10 mL) was added N-bromosuccinimide (42 mg, 0.24 mmol). The mixture was stirred at 70° C. for 3 hour. The reaction mixture was concentrated and purified by preparative LCMS to yield the desired product. 1HNMR (300 MHz, CD3OD): δ 4.44 (t, J=7.6 Hz, 2H), 1.94 (m, 2H), 1.42 (m, 4H), 0.93 (m, 3H). LCMS calculated for C12H13BrF3N6O (M+H): 393.0. found: 393.0, 395.0.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08039478B2
Source datasetuspto-grants-2011_10
ORD IDord-608827942fb74cb89b351055f8814283
Source noteuspto-grants-2011_10