HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2099079Generated: October 30, 2026
Dimethylformamide → 1-(2-Nitro-4-(trifluoromethyl)phenyl)azepane
https://huagongshe.com/reaction/2099079
Participants
| Role | Name | HCID | Charge |
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| Reactant | Dimethylformamide | HCID 6228 | — |
| Reactant | Azepane | HCID 8119 | — |
| Reactant | 4-Fluoro-3-nitrobenzotrifluoride | HCID 67778 | — |
| Solvent | Water | HCID 962 | — |
| Product | 1-(2-Nitro-4-(trifluoromethyl)phenyl)azepane | HCID 12318721 | 97.5% |
Reaction Steps
Hexahydro-1H-azepine (682 μl, 6.05 mmol, commercially available product) was added at 0° C. to an N,N-dimethylformamide (DMF; 2 ml) solution of 1-fluoro-2-nitro-4-(trifluoromethyl)benzene (506 mg, 2.42 mmol, commercially available product). The resulting mixture was warmed to room temperature and stirred for one hour. Water was added to the mixture, and the resulting mixture was extracted three times with ethyl acetate. The obtained organic layer was washed with a saturated sodium chloride solution, dried over anhydrous sodium sulfate, filtered, and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (20 g, hexane/ethyl acetate=7/1). Thus, hexahydro-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-azepine (680 mg, 97.5%) was yielded as an orange-colored solid.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07569536B2 |
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| Source dataset | uspto-grants-2009_08 |
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| ORD ID | ord-3bc62ba0107247a08e4fddb700fc513e |
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| Source note | uspto-grants-2009_08 |
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