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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 455191Generated: October 29, 2026

1-Tert-butyl-4-isocyanatobenzene → HCID 59454472, compound

https://huagongshe.com/reaction/455191

Reaction equation

Participants

RoleNameHCIDCharge
Reactant1-Tert-butyl-4-isocyanatobenzeneHCID 2735695—
ReactantN-[6-(3-aminophenoxy)-7-cyano-1,3-benzothiazol-2-yl]acetamideHCID 86644686—
SolventDimethylformamideHCID 6228—
SolventEthyl AcetateHCID 8857—
ProductHCID 59454472HCID 5945447240%

Reaction Steps

N-[6-(3-Aminophenoxy)-7-cyano-1,3-benzothiazol-2-yl]acetamide (120 mg, 0.369 mmol) produced in Example 12(ii) was dissolved in N,N-dimethylformamide (1.5 mL), 1-isocyanato-4-(tert-butyl)benzene (85 μL, 0.48 mmol) was added, and the mixture was stirred at room temperature for 12 hr. The reaction mixture was diluted with ethyl acetate (10 mL), washed successively with 5% aqueous sodium hydrogen carbonate solution (5 mL) and saturated brine (5 ml), and dried over anhydrous sodium sulfate. Insoluble material was filtered off, and the filtrate was concentrated under reduced pressure. The obtained residue was purified by basic silica gel column chromatography (ethyl acetate/n-hexane=60/40→100/0), and the obtained solution was concentrated under reduced pressure. The residue was recrystallized from acetone/n-hexane to give the title compound (73 mg, 40%) as a white powder.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08497274B2
Source datasetuspto-grants-2013_07
ORD IDord-6ed922da31784c7d85cb3208c6951942
Source noteuspto-grants-2013_07