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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 488632Generated: October 29, 2026

Sodium Cyanide → HCID 22270690, compound

https://huagongshe.com/reaction/488632

Reaction equation

Participants

RoleNameHCIDCharge
ReactantSodium CyanideHCID 8929—
Reactant18-Crown-6HCID 28557—
ReactantHCID 22270356HCID 22270356—
CatalystHCID 178418397HCID 178418397—
Solvent1,4-DioxaneHCID 31275—
ProductHCID 22270690HCID 22270690—

Reaction Conditions

Temperature100 °C

Reaction Steps

A mixture of N-[2-(3-bromo-5-fluorophenyl)-3-(4-chlorophenyl)-1-methylpropyl]-2-(5-trifluoromethyl-2-pyridyloxy)-2-methylpropanamide (Example 330, 92 mg, 0.16 mmol), sodium cyanide (12 mg, 0.24 mmol), 18-crown-6 (63 mg, 0.24 mmol) and tetrakis(triphenylphosphine)palladium (92 mg, 0.08 mmol) in 2 mL dioxane was heated under nitrogen at 100° C. for 14 h. After cooling to room temperature, the resulting mixture was partitioned between water (50 mL) and EtOAc (50 mL). The organic layer was separated, washed with water, dried over anhydrous sodium sulfate, filtered and concentrated, and the residue was purified by flash column chromatography on silica gel eluting with 30% EtOAc in hexane to afford the title compound as a racemic mixture. 1H NMR (500 MHz, CD3OD): δ 8.26 (br s, 1H), 7.96 (d, 1H), 7.93 (dd, 1H), 7.30 (br d, 1H), 7.22 (s, 1H), 7.15 (br d, 1H), 7.06 (d, 2H), 7.05 (m, 1H), 6.74 (d, 2H), 4.24 (m, 1H), 3.05 (dd, 1H), 2.91 (m, 1H), 2.63 (dd, 1H), 1.74 (s, 3H), 1.72 (s, 3H), 0.83 (d, 3H). LC-MS: m/e 534 (M+H)+ (4.2 min).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS06972295B2
Source datasetuspto-grants-2005_12
ORD IDord-9c7a6738c51a40c0a6ebeb414d4b3afa
Source noteuspto-grants-2005_12