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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1895307Generated: October 31, 2026

Triethylamine → 3-(3-Phenylisoxazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one

https://huagongshe.com/reaction/1895307

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTriethylamineHCID 8471—
ReactantN-hydroxybenzenecarboximidoyl chlorideHCID 2756315—
Reactant3-Ethynyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-oneHCID 58072339—
SolventTetrahydrofuranHCID 8028—
Product3-(3-Phenylisoxazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-oneHCID 5807217055%

Reaction Steps

To a solution of 3-ethynyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one (104 mg, 0.391 mmol) and N-hydroxybenzenecarboximidoyl chloride (122 mg, 0.782 mmol) in THF (5 mL) was added Et3N (0.108 mL, 0.782 mmol) at 0° C. The suspension was stirred at room temperature for 14 h. The reaction was quenched with water. The mixture was extracted with AcOEt, washed with brine, dried over Na2SO4, filtered, concentrated in vacuo, purified by column chromatography on silica gel (hexane/AcOEt=50/50 to 0/100) and on basic silica gel (hexane/AcOEt=50/50 to 43/57) and crystallized with AcOEt/heptane to yield the title compound (82.4 mg, 55% yield) as a white solid: mp 217-219° C. 1H NMR (DMSO-d6, 300 MHz): δ ppm 6.87 (1H, d, J=8.0 Hz), 7.50-7.59 (3H, m), 7.86-7.92 (2H, m), 7.94-8.02 (3H, m), 8.15-8.26 (2H, m), 9.09 (1H, d, J=8.2 Hz). Anal. Calcd for C20H12F3N3O2: C, 62.67; H, 3.16; N, 10.96. Found: C, 62.60; H, 3.19; N, 10.95.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08513251B2
Source datasetuspto-grants-2013_08
ORD IDord-df6ad46a91cb4e099b9a7f6ea939a187
Source noteuspto-grants-2013_08