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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 455185Generated: October 30, 2026

4-(Trifluoromethyl)phenyl isocyanate → HCID 59454475, compound

https://huagongshe.com/reaction/455185

Reaction equation

Participants

RoleNameHCIDCharge
Reactant4-(Trifluoromethyl)phenyl isocyanateHCID 73768—
ReactantN-[6-(3-aminophenoxy)-7-cyano-1,3-benzothiazol-2-yl]acetamideHCID 86644686—
SolventDimethylformamideHCID 6228—
SolventEthyl AcetateHCID 8857—
ProductHCID 59454475HCID 5945447570%

Reaction Steps

N-[6-(3-Aminophenoxy)-7-cyano-1,3-benzothiazol-2-yl]acetamide (150 mg, 0.462 mmol) produced in Example 12(ii) was dissolved in N,N-dimethylformamide (2 mL), 1-isocyanato-4-(trifluoromethyl)benzene (86 μL, 0.60 mmol) was added, and the mixture was stirred at room temperature for 2 hr. The reaction mixture was diluted with ethyl acetate (20 ml), washed successively with 5% aqueous sodium hydrogen carbonate solution (10 mL) and saturated brine (10 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 silica gel column chromatography (ethyl acetate/n-hexane=40/60→100/0), and the obtained solution was concentrated under reduced pressure. The residue was crystallized from 2-butanone/n-hexane to give the title compound (165 mg, 70%) as a white powder.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08497274B2
Source datasetuspto-grants-2013_07
ORD IDord-2fb7c7018b674eec962bd9545ed27f4f
Source noteuspto-grants-2013_07