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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2261986Generated: October 31, 2026

Toluene → HCID 86617522, compound

https://huagongshe.com/reaction/2261986

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTolueneHCID 1140—
ReactantPotassium CarbonateHCID 11430—
Reactant18-Crown-6HCID 28557—
ReactantHCID 86617523HCID 86617523—
ProductHCID 86617522HCID 8661752258%

Reaction Steps

To a solution of 1,1-dimethylethyl[5-chloro-3-(3-hydroxy-3-methylbut-1-yn-1-yl)-2-methylphenyl]carbamate (504 mg 1.56 mmol) in toluene (3 mL) was added potassium carbonate (215 mg, 1.56 mmol) and 18-crown-6 (82 mg, 0.31 mmol). The mixture was stirred at reflux for 5 hours, then was cooled to room temperature and partitioned between water and ethyl acetate. The aqueous portion was extracted twice with ethyl acetate. The combined organic portions were washed with brine, dried over sodium sulfate, filtered and concentrated in-vacuo to afford a brown residue which was purified by column chromatography (silica gel, 5% ethyl acetate in hexane). The product was collected to afford 242 mg, 0.91 mmol (58%) of 1,1-dimethylethyl (5-chloro-3-ethynyl-2-methylphenyl)carbamate as a tan solid. 1H NMR (400 MHz, CDCl3): 7.40 (d, 1H), 7.07 (d, 1H), 3.32 (s, 1H), 2.25 (s, 3H), 1.39 (s, 9H); MS (EI) for C14H16ClNO2: 266 (MH+).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07846959B2
Source datasetuspto-grants-2010_12
ORD IDord-29c143e55a21438d8021453553559bae
Source noteuspto-grants-2010_12