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
Participants
| Role | Name | HCID | Charge |
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| Reactant | 1-Tert-butyl-4-isocyanatobenzene | HCID 2735695 | — |
| 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 59454472 | HCID 59454472 | 40% |
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
| 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-6ed922da31784c7d85cb3208c6951942 |
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| Source note | uspto-grants-2013_07 |
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