HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 419619Generated: October 30, 2026
Ethanol → 1-[2-Methyl-5-(methyloxy)-4-nitrophenyl]-4-[2-(methylsulfonyl)ethyl]piperidine
https://huagongshe.com/reaction/419619
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Ethanol | HCID 702 | — |
| Reactant | Potassium hydroxy sulfite | HCID 23707502 | — |
| Reactant | 1-[2-Methyl-5-(methyloxy)-4-nitrophenyl]-4-[2-(methylthio)ethyl]piperidine | HCID 59452781 | — |
| Solvent | Water | HCID 962 | — |
| Solvent | Ethyl Acetate | HCID 8857 | — |
| Product | 1-[2-Methyl-5-(methyloxy)-4-nitrophenyl]-4-[2-(methylsulfonyl)ethyl]piperidine | HCID 59452654 | 73% |
Reaction Steps
To OXONE® (155 g, 253 mmol) in H2O (425 mL) and EtOH (250 mL) at 0° C. was added 1-[2-methyl-5-(methyloxy)-4-nitrophenyl]-4-[2-(methylthio)ethyl]piperidine (32.8 g, 101 mmol) in EtOAc (250 mL) via addition funnel over the period of an hour. The reaction was warmed to rt and allowed to stir for 30 min at which time it was determined to be complete by LCMS. The reaction was diluted with H2O and EtOAc. The resultant precipitate was filtered and washed with EtOAc. The layers of the filtrate were separated and the aqueous layer was washed with EtOAc (3×). The filtered solids were dissolved with DCM and H2O and the layers were separated. The organic layer was washed with DCM (2×). The combined organic layer was dried (MgSO4), filtered, and rotovapped down. The resultant solid was triturated with diethyl ether, filtered, and dried under vacuum to provide the title compound of Step I (26.1 g, 73.2 mmol, 73%). 1H NMR (400 MHz, DMSO-d6) δ 7.74 (s, 1H), 6.67 (s, 1H), 3.88 (s, 3H), 3.27 (d, J=12.3 Hz, 2H), 3.10-3.20 (m, 2H), 2.96 (s, 3H), 2.68 (t, J=11.3 Hz, 2H), 2.17 (s, 3H), 1.79 (d, J=11.2 Hz, 2H), 1.62-1.73 (m, 2H), 1.46-1.60 (m, J=10.7, 7.0, 3.5, 3.5 Hz, 1H), 1.31 (qd, J=11.9, 3.5 Hz, 2H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08093239B2 |
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| Source dataset | uspto-grants-2012_01 |
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| ORD ID | ord-1a8561006a5649b0b2f53c05837868ed |
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| Source note | uspto-grants-2012_01 |
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