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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 349274Generated: October 30, 2026

Acetic Acid → HCID 58804027, compound

https://huagongshe.com/reaction/349274

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcetic AcidHCID 176—
ReactantWaterHCID 962—
ReactantHCID 86601230HCID 86601230—
SolventTetrahydrofuranHCID 8028—
ProductHCID 58804027HCID 58804027—

Reaction Conditions

Temperature60 °C

Reaction Steps

Dissolve [1-(3,5-Bis-trifluoromethyl-benzyl)-5-pyridin-3-yl-1H-imidazol-4-yl]-[5-(2-chloro-phenyl)-3-(tetrahydro-pyran-2-yloxymethyl)-isoxazol-4-yl]-methanone (0.136 g, 0.20 mmol) in THF (1.5 mL), add acetic acid (1.5 mL) and H2O (0.5 mL). Attach a reflux condenser and stir 20 hours in a 60° C. oil bath. Concentrate under vacuum, neutralize with saturated aqueous NaHCO3, and extract with EtOAc. Dry over MgSO4, filter through paper, and concentrate under vacuum. Recrystallize in ether/hexane (1:10) to give the title compound: MS (ES) 607.1 (M+1), 1H NMR (CDCl3) δ 8.69 (br s, 1H), 8.58 (br s, 1H), 7.82 (s, 1H), 7.64 (m, 2H), 7.44–7.28 (m, 5H), 7.23 (s, 2H), 5.14 (s, 2H), 4.76 (s, 2H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07179804B2
Source datasetuspto-grants-2007_02
ORD IDord-80ee04e80c514364ac60feb98db683c0
Source noteuspto-grants-2007_02