HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 36944Generated: October 23, 2026
Acetic Acid → 1-(4-Chlorophenyl)-2-(3-(Trifluoromethyl)-5-Isothiazolyl)Ethanone
https://huagongshe.com/en/reaction/36944
Participants
| Role | Name | HCID | Charge |
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| Reactant | Acetic Acid | HCID 176 | — |
| Reactant | P-Chloroacetophenone | HCID 7467 | — |
| Reactant | 5-Methylsulfonyl-3-(trifluoromethyl)isothiazole | HCID 15239214 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | 1-(4-Chlorophenyl)-2-(3-(Trifluoromethyl)-5-Isothiazolyl)Ethanone | HCID 15239215 | — |
Reaction Steps
The oil of a 4.0 g (100 mmol) portion of 60 percent in mineral oil sodium hydride was removed by triple extraction with hexane and was replaced with 100 mL of tetrahydrofuran. 4-Chloroacetophenone (4.33 g, 28 mmol) was added and the mixture was heated at reflux with stirring for 1 hr and then allowed to cool. 5-Methylsulfonyl-3-(trifluoromethyl)isothiazole (4.57 g, 19.8 mmol) dissolved in a small amount of tetrahydrofuran was added and the mixture was heated at reflux with stirring for 3 hr and then allowed to cool. The mixture was next acidified with 60 mL of 10 percent aqueous acetic acid and the layers that formed were separated. The aqueous layer was extracted with 2×100 mL of ether and the organic fractions were combined, washed with aqueous sodium bicarbonate solution, dried over sodium sulfate, filtered, and concentrated by evaporation under reduced pressure to obtain a residue. This residue was washed with hexane and crystallized from a 1:1 mixture of dichloromethane and hexane to obtain 3.19 g (53 percent of theory) of the title compound as a solid melting at 109°-110° C.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US05418247 |
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| Source dataset | uspto-grants-1995_05 |
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| ORD ID | ord-623b39e3a6bc4ee7baac5979b7b7ec69 |
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| Source note | uspto-grants-1995_05 |
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