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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 455189Generated: October 30, 2026

3-(Trifluoromethyl)phenyl isocyanate → HCID 59454468, compound

https://huagongshe.com/reaction/455189

Reaction equation

Participants

RoleNameHCIDCharge
Reactant3-(Trifluoromethyl)phenyl isocyanateHCID 9483—
ReactantN-[6-(3-aminophenoxy)-7-cyano-1,3-benzothiazol-2-yl]acetamideHCID 86644686—
SolventDimethylformamideHCID 6228—
SolventEthyl AcetateHCID 8857—
ProductHCID 59454468HCID 5945446856.2%

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 (2 mL), 1-isocyanato-3-(trifluoromethyl)benzene (66 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 residue was purified by basic silica gel column chromatography (methanol/ethyl acetate=0/100→5/95), and the obtained solution was concentrated under reduced pressure. The residue was crystallized from methanol to give the title compound (106 mg, 56%) as a white powder.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08497274B2
Source datasetuspto-grants-2013_07
ORD IDord-4e193bbf1dd2493393e9303e8f12a100
Source noteuspto-grants-2013_07