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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1985545Generated: October 31, 2026

Toluene → HCID 11979014, compound

https://huagongshe.com/reaction/1985545

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTolueneHCID 1140—
ReactantPhosgeneHCID 6371—
ReactantPotassium CarbonateHCID 11430—
ReactantHCID 59731919HCID 59731919—
ReactantHCID 67318866HCID 67318866—
ReactantHCID 178418361HCID 178418361—
CatalystPalladiumHCID 23938—
SolventAcetic AcidHCID 176—
SolventMethanolHCID 887—
ProductHCID 11979014HCID 1197901411%

Reaction Steps

(R)-Benzyl 1-acetyl-8-benzyl-7-oxo-1,5,6,7,8,9-hexahydroazepino[4,3-f]indazol-6-ylcarbamate (52 mg, 0.11 mmol) was dissolved in a mixture of methanol (7 mL) and acetic acid (100 μL). A catalytic amount of 10% palladium on carbon was added to the mixture. Reaction was placed on a Parr apparatus under 60 psi of hydrogen gas. Reaction shook at room temperature for 2 hours. Mixture was filtered. Filtrate was concentrated. Residue was dissolved in dichloromethane (5 mL). Aqueous sodium bicarbonate (5 mL) was added to the mixture. 20% Phosgene in toluene (62 μL, 0.12 mmol) was added to the mixture with vigorous stirring. Reaction was stirred vigorously at room temperature for 20 minutes. 4-(2-oxo-1,4-dihydro-2H-quinazolin-3-yl)piperidinium acetate was added to the mixture. Reaction stirred at room temperature for 1 hour. Layers were partitioned. Organics were washed twice with 1N hydrochloric acid and once with brine. Organic layer was dried (magnesium sulfate), filtered and concentrated in vacuo. Residue was dissolved in methanol (5 mL). Potassium carbonate (20 mg, 0.14 mmol) was added to the mixture. Reaction stirred at room temperature for 1 hour. Reaction was quenched with trifluoroacetic acid. Mixture was purified by prep HPLC. Title compound was obtained as a white solid in 11% yield. MS m/e (M+H)+=564.3. Rf=1.89 min.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07544680B2
Source datasetuspto-grants-2009_06
ORD IDord-ce652433cf424aa299c3c2cf12215d2c
Source noteuspto-grants-2009_06