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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 924244Generated: October 31, 2026

HCID 90404328, compound → HCID 90404362, compound

https://huagongshe.com/reaction/924244

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 numberUS09278964B2
Source datasetuspto-grants-2016_03
ORD IDord-955f2d85c08a447b8ec258f0bdf375f8
Source noteuspto-grants-2016_03