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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 573890Generated: October 31, 2026

HCID 90404328, compound → HCID 90404362, compound

https://huagongshe.com/reaction/573890

Reaction equation

Participants

RoleNameHCIDCharge
ReactantHCID 90404328HCID 90404328—
CatalystPalladiumHCID 23938—
SolventEthyl AcetateHCID 8857—
ProductHCID 90404362HCID 90404362104%

Reaction Steps

To 4-(4-(1-(4-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)but-3-yn-1-ol (C61) (0.376 g, 0.967 mmol) in a 100 mL round bottomed flask equipped with a stir bar and septa was added ethyl acetate (9.67 mL) followed by palladium on carbon (0.103 g, 0.0970 mmol). The reaction mixture was evacuated with vacuum and purged with hydrogen (balloon) (2×) and stirred at room temperature overnight. The reaction mixture was filtered through Celite®, washed with ethyl acetate and concentrated to provide the title compound as a white solid (0.363 g, 104%): 1H NMR (400 MHz, CDCl3) δ 8.65 (s, 1H), 8.15-8.08 (m, 2H), 7.94-7.88 (m, 2H), 7.80 (dd, J=8.2, 1.1 Hz, 2H), 7.34-7.28 (m, 2H), 3.74-3.66 (m, 2H), 3.66-3.60 (m, 1H), 2.72 (t, J=7.6 Hz, 2H), 1.81-1.71 (m, 2H), 1.69-1.60 (m, 2H); 19F NMR (376 MHz, CDCl3) δ −62.48; ESIMS m/z 362 ([M+H]+).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09029560B2
Source datasetuspto-grants-2015_05
ORD IDord-79e8e3cba6b64092a7fdf25e774e767d
Source noteuspto-grants-2015_05