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
Participants
| Role | Name | HCID | Charge |
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| Reactant | 3-(Trifluoromethyl)phenyl isocyanate | HCID 9483 | — |
| Reactant | N-[6-(3-aminophenoxy)-7-cyano-1,3-benzothiazol-2-yl]acetamide | HCID 86644686 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Solvent | Ethyl Acetate | HCID 8857 | — |
| Product | HCID 59454468 | HCID 59454468 | 56.2% |
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
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08497274B2 |
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| Source dataset | uspto-grants-2013_07 |
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| ORD ID | ord-4e193bbf1dd2493393e9303e8f12a100 |
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| Source note | uspto-grants-2013_07 |
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