HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1042759Generated: November 1, 2026
Benzenesulfonic Acid → HCID 86641481, compound
https://huagongshe.com/reaction/1042759
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Benzenesulfonic Acid | HCID 7371 | — |
| Reactant | N-Methyl-2-piperidone | HCID 13603 | — |
| Reactant | Potassium Hydroxide | HCID 14797 | — |
| Reactant | Potassium Phosphate, Dibasic | HCID 24450 | — |
| Reactant | HCID 67000209 | HCID 67000209 | — |
| Reactant | HCID 86641482 | HCID 86641482 | — |
| Solvent | Acetone | HCID 180 | — |
| Solvent | Water | HCID 962 | — |
| Solvent | Toluene | HCID 1140 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Solvent | Butyl Acetate | HCID 31272 | — |
| Product | HCID 86641481 | HCID 86641481 | 89% |
Reaction Steps
4-[4-Bromo-3-(2-methoxyethoxy)benzyl]piperidine hydrochloride (2.0 g, 5.48 mmol) was added to an aqueous potassium hydroxide solution (prepared from potassium hydroxide [0.43 g, 6.58 mmol] and water [10 ml]), followed by extraction with toluene (10 ml×2). All the organic layers were combined, and the solvent was distilled off under reduced pressure. 6-(2-p-Benzenesulfonyloxyethyl)-2,3-dihydro-4H-chromen-4-one (1.91 g, 5.76 mmol), dipotassium hydrogen phosphate (2.87 g, 16.5 mmol), N-methyl-2-piperidone (0.6 ml), and toluene (20 ml) were added to the concentrated residue, and the mixture was stirred at 110 to 120° C. for 6 hours. After cooling to 40 to 50° C., water (20 ml), tetrahydrofuran (10 ml), and toluene (10 ml) were added thereto. The organic layer was washed with water (10 ml). The solvent was distilled off under reduced pressure to obtain a concentrated residue. The obtained concentrated residue was dissolved in acetone (6.0 ml) without further purification, and a solution of benzenesulfonic acid (0.93 g, 5.76 mmol) in acetone (4.0 ml) was added dropwise thereto at 50 to 60° C. The mixture was stirred at 50 to 60° C. for 30 minutes. Then, n-butyl acetate (20.0 ml) was added dropwise thereto, and the mixture was further stirred for 1 hour. After cooling to room temperature, n-butyl acetate (10 ml) was added dropwise thereto, and the mixture was stirred for 3.5 hours in an ice bath. The precipitate was collected by filtration, washed with cold acetone (4.0 ml×2), and dried under reduced pressure to obtain the title compound (3.21 g, 89%).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08557998B2 |
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| Source dataset | uspto-grants-2013_10 |
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| ORD ID | ord-1d75361176ef43e4941cd2ba3f80ba17 |
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| Source note | uspto-grants-2013_10 |
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