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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2089947Generated: October 30, 2026

Water → 5-Hydroxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one

https://huagongshe.com/reaction/2089947

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantSodium IodideHCID 5238—
ReactantChlorotrimethylsilaneHCID 6397—
Reactant5-Methoxy-3-(1-Phenyl-1h-Pyrazol-5-Yl)-1-[3-(Trifluoromethyl)phenyl]pyridazin-4(1h)-OneHCID 59436195—
SolventAcetonitrileHCID 6342—
Product5-Hydroxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-oneHCID 5943622284.4%

Reaction Steps

TMSCl (3.17 mL, 25 mmol) was added at room temperature to a solution of NaI (3.75 g, 25 mmol) in CH3CN (150 mL). After stirring for 30 min, 5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one (2.06 g, 5 mmol) was added to the resulting suspension. The mixture was stirred for 30 min at room temperature and then refluxed for 1 h. After cooling to room temperature, the reaction mixture was poured into water and extracted with AcOEt. The extract was washed with brine, dried over MgSO4, and concentrated under reduced pressure. The residue was washed with hexane/AcOEt (1/1) and recrystallized from MeOH/H2O to give the title compound (1.68 g, 84% yield) as a colorless powder: mp 246-248° C.; 1H NMR (300 MHz, DMSO-d6): δ ppm 7.17 (1H, d, J=1.9 Hz), 7.33-7.46 (5H, m), 7.53-7.64 (3H, m), 7.71 (1H, d, J=7.5 Hz), 7.83 (1H, d, J=1.9 Hz), 8.83 (1H, s). Anal. Calcd for C20H13F3N4O2: C, 60.30; H, 3.29; N, 14.07. Found: C, 60.09; H, 3.33; N, 14.02.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08435995B2
Source datasetuspto-grants-2013_05
ORD IDord-f08cf8a448744edba2bf024643388a66
Source noteuspto-grants-2013_05