HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 538816Generated: October 31, 2026
Dimethyl Sulfoxide → HCID 178448420, compound
https://huagongshe.com/reaction/538816
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Dimethyl Sulfoxide | HCID 679 | — |
| Reactant | Triethylamine | HCID 8471 | — |
| Reactant | 1-Hydroxybenzotriazole | HCID 75771 | — |
| Reactant | 5-Chloro-o-anisic acid | HCID 76970 | — |
| Reactant | Thiourea, butyl- | HCID 1551919 | — |
| Reactant | 1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride | HCID 2723939 | — |
| Reactant | HCID 66851893 | HCID 66851893 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Solvent | Ethyl Acetate | HCID 8857 | — |
| Product | HCID 178448420 | HCID 178448420 | 10.4% |
Reaction Steps
To a mixture of sodium 5-oxo-5,6-dihydro-2H-pyran-3-olate (Li, Wenke; Wayne, Gregory S.; Lallaman, John E.; Wittenberger, Steven J. J. Org. Chem. (2006), 71, 1725-1727) (1.36 g, 10 mmol) and n-butylthiourea (Trans World) (1.32 g, 10 mmol) in tetrahydrofuran (15 mL) was added a mixture of DMSO/12 N HCl (1/1 molar ratio, 4.6 mL, 30 mmol). The reaction mixture was heated at 40° C. for overnight, and then cooled. The mixture was diluted with ethyl acetate and washed with aqueous sodium bicarbonate. The organic extract was dried (MgSO4), filtered and concentrated. The residue was dried under vacuum for 12 h and dissolved in tetrahydrofuran (40 mL). To the solution was added 5-chloro-2-methoxy-benzoic acid (1.86 g, 10.0 mmol), N-(3-dimethylaminopropyl)-N-ethylcarbodimide hydrochloride (1.91 g, 10.0 mmol), 1-hydroxybenzotriazole (1.35 g, 10.0 mmol) and triethylamine (3.5 mL, 3.5 mmol). The mixture was stirred overnight at 80° C. and then cooled at room temperature. The mixture was diluted with ethyl acetate, washed with 1 M aqueous NaHCO3, dried (Na2SO4), filtered and concentrated. The residue was purified by flash chromatography (SiO2, 0-75% ethyl acetate in hexanes) to afford 412 mg of the title compound. MS (ESI+) m/z 395 (M+H)+
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08865753B2 |
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| Source dataset | uspto-grants-2014_10 |
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| ORD ID | ord-bb4cedc6afe247049b7e2b7ec2f0c74e |
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| Source note | uspto-grants-2014_10 |
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