HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2421939Generated: October 30, 2026
Water → 4-Chloro-2-isopropyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide
https://huagongshe.com/reaction/2421939
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Water | HCID 962 | — |
| Reactant | Dimethylformamide | HCID 6228 | — |
| Reactant | Oxalyl chloride | HCID 65578 | — |
| Reactant | HCID 67242125 | HCID 67242125 | — |
| Solvent | Dichloromethane | HCID 6344 | — |
| Product | 4-Chloro-2-isopropyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide | HCID 67243160 | 46.8% |
Reaction Steps
DMF (25 mL) and oxalyl chloride (0.2 mL, 2.29 mmol) were added separately to a solution of 4-hydroxy-2-isopropyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide (0.5 g, 1.87 mmol) in DCM (25 mL) at 0° C. The reaction mixture was then heated at 50° C. for 4 h, water was added and the resulting mixture was extracted with EtOAc. The combined organic layers were washed with water, then brine and evaporated. The residue was purified by silica gel column chromatography using a 4:1 mixture of hexane and EtOAc as eluant to give the title compound (0.25 g, 46%) as a solid; 1H NMR (200 MHz, CDCl3): δ 8.10-7.94 (m, 2H), 7.61-7.50 (m, 3H), 4.50 (sep, 1H), 1.61 (s, 3H), 1.65 (s, 6H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07960380B2 |
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| Source dataset | uspto-grants-2011_06 |
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| ORD ID | ord-64c0b625e9e44ab5bd27bb779e645d5a |
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| Source note | uspto-grants-2011_06 |
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