HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1688028Generated: November 1, 2026
Water → 3-Nitro-7,8-dihydro-6H-5-oxa-9-aza-benzocycloheptene-9-carboxylic acid ethyl ester
https://huagongshe.com/reaction/1688028
Participants
| Role | Name | HCID | Charge |
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| Reactant | Water | HCID 962 | — |
| Reactant | Diethyl Ether | HCID 3283 | — |
| Reactant | Potassium ethoxide | HCID 23670592 | — |
| Reactant | 3-(3-chloro-propyl)-6-nitro-3H-benzoxazol-2-one | HCID 67263654 | — |
| Solvent | N-methyl-2-pyrrolidone | HCID 13387 | — |
| Product | 3-Nitro-7,8-dihydro-6H-5-oxa-9-aza-benzocycloheptene-9-carboxylic acid ethyl ester | HCID 67263472 | 50.4% |
Reaction Steps
3-(3-Chloro-propyl)-6-nitro-3H-benzoxazol-2-one (5.08 g, 19.8 mmol) and Potassium Ethoxide (1.80 g, 21.4 mmol) in N-Methylpyrrolidinone (60 mL) was stirred at room temperature under an atmosphere of Nitrogen. At 24 h, an additional aliquot of Potassium Ethoxide (0.91 g, 11 mmol) was added. After stirring overnight, the solution was poured into ether (100 mL) and water (50 mL), separated and extracted 2×100 mL ether. The organic extracts were washed with water (2×50 mL) and brine (50 mL), dried and conc. in vacuo. The residue was powdered onto silica gel and chromatographed (ISCO, 0-30% EtOAc:Hex) to afford 3-Nitro-7,8-dihydro-6H-5-oxa-9-aza-benzocycloheptene-9-carboxylic acid ethyl ester as a yellow solid (2.657 g, 50%). 1H-NMR (CDCl3): 7.84 (m, 2H), 7.45 (s, 1H), 4.29 (m, 4H), 3.85 (m, 2H), 2.14 (m, 2H), 1.26 (m, 3H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08148391B2 |
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| Source dataset | uspto-grants-2012_04 |
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| ORD ID | ord-a445bd23c77d4f5baf6f62ac4d60e51b |
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| Source note | uspto-grants-2012_04 |
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