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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 17625Generated: October 26, 2026

2,6-Di-tert-butyl-4-methylphenol → tert-Butyl {3-[4-cyano-2-dimethylcarbamoyl-5-methyl-6-phenyl-1,3-benzoxazol-7-yl]cyclopent-2-enyl}methylcarbamate

https://huagongshe.com/reaction/17625

Reaction equation

Participants

RoleNameHCIDCharge
Reactant2,6-Di-tert-butyl-4-methylphenolHCID 31404—
Reactanttert-Butyl methyl-(3-tri-n-butylstannylcyclopent-2-enyl)carbamateHCID 68584969—
Reactant7-bromo-4-cyano-N,N,5-trimethyl-6-phenyl-1,3-benzoxazole-2-carboxamideHCID 68585175—
CatalystHCID 178418476HCID 178418476—
Solvent1,4-DioxaneHCID 31275—
Producttert-Butyl {3-[4-cyano-2-dimethylcarbamoyl-5-methyl-6-phenyl-1,3-benzoxazol-7-yl]cyclopent-2-enyl}methylcarbamateHCID 8663088788%

Reaction Conditions

Temperature100 °C

Reaction Steps

7-Bromo-4-cyano-N,N,5-trimethyl-6-phenyl-1,3-benzoxazole-2-carboxamide (I-339) (275 mg, 0.72 mmol) and tert-butyl methyl-(3-tri-n-butylstannylcyclopent-2-enyl)carbamate (I-332) (453 mg, 0.93 mol) were dissolved in 1,4-dioxane (8 ml), and at room temperature, 2,6-di-tert-butyl-paracresol (3 mg, 0.01 mmol) and then bis(triphenylphosphine)palladium(II) dichloride (50 mg, 0.07 mmol) were added. The solution was stirred under nitrogen atmosphere at 100° C. for 24 hours, then cooled to room temperature. The insoluble matter was separated by filtration with washing with ethyl acetate. The filtrate was concentrated under reduced pressure. The solvent was evaporated away, and the resulting residue was purified by middle-pressure liquid chromatography (eluent, n-hexane:ethyl acetate=2:1, v/v) to obtain the entitled compound (316 mg, 88%) as a colorless gel.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07737166B2
Source datasetuspto-grants-2010_06
ORD IDord-4d95ef807d6142039a3b348d991c8850
Source noteuspto-grants-2010_06