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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 446352Generated: October 29, 2026

Acetonitrile → HCID 58588417, compound

https://huagongshe.com/reaction/446352

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcetonitrileHCID 6342—
ReactantTrimethylsilylacetyleneHCID 66111—
ReactantHCID 66970612HCID 66970612—
CatalystCopper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 24350—
CatalystHCID 178418476HCID 178418476—
SolventTriethylamineHCID 8471—
ProductHCID 58588417HCID 58588417—

Reaction Conditions

Temperature85 °C

Reaction Steps

To a solution of 3-Bromo-5-[3-(2-methylamino-pyrimidin-4-yl)-pyridin-2-yloxy]-N-(3-trifluoromethyl-phenyl)-benzamide (110 mg, 0.20 mmol), acetonitrile (5 mL) and Et3N (1 mL) in a sealed tube was added trimethylsilyl acetylene (0.14 mL, 1.0 mmol) followed by PdCl2(PPh3)2 (14 mg, 0.02 mmol) and CuI (4.0 mg, 0.02 mmol). The tube was sealed and heated at 85° C. for 15 h. The mixture was allowed to cool to room temperature and concentrated under reduced pressure. The resulting crude mixture was reconstituted in methanol (5 mL), saturated with solid K2CO3 (˜200 mg) and allowed to stir at room temperature for 1 h. The resulting mixture was concentrated under reduced pressure and reconstituted in EtOAc (20 mL). The organic phase was washed successively with water (2×5 mL) and brine (1×5 mL), dried over anhydrous Na2SO4, filtered and concentrated under reduced pressure. The crude was purified via RP-HPLC to afford the title compound as an off-white solid. MS m/z=490 [M+1]+, Calc'd for C26H18F3N5O2: 489.45.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08476434B2
Source datasetuspto-grants-2013_07
ORD IDord-cfe64ee1c5044e4d901c3557d7bf1f35
Source noteuspto-grants-2013_07