HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 890789Generated: October 26, 2026
Allyl Alcohol → 5-(3-Oxo-propyl)-thiophene-2-carboxylic Acid Tert-butyl Ester
https://huagongshe.com/reaction/890789
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Allyl Alcohol | HCID 7858 | — |
| Reactant | Sodium Bicarbonate | HCID 516892 | — |
| Reactant | Tert-butyl 5-bromothiophene-2-carboxylate | HCID 10912335 | — |
| Catalyst | Tetrabutylammonium Chloride | HCID 70681 | — |
| Catalyst | palladium(II) acetate | HCID 167845 | — |
| Solvent | Water | HCID 962 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Solvent | Ethyl Acetate | HCID 8857 | — |
| Product | 5-(3-Oxo-propyl)-thiophene-2-carboxylic Acid Tert-butyl Ester | HCID 54099193 | 41.8% |
Reaction Steps
To a solution of 5-bromo-thiophene-2-carboxylic acid tert-butyl ester (0.50 g, 1.89 mmol) in 5 mL DMF was added allyl alcohol (0.51 mL, 7.57 mmol) followed by NaHCO3 (0.397 g, 4.72 mmol), tetrabutylammonium chloride (0.525 g, 1.89 mmol), and palladium acetate (0.021 g, 0.094 mmol). The reaction was placed in an oil bath heated to 65° C. and was heated to 90° C. for 2 h. The mixture was diluted with EtOAc and 25 mL water and the solids were removed by filtration through Celite. The layers were separated, and the organic solution was washed with water (4×), dried over MgSO4 and concentrated to a dark yellow oil which was purified via medium pressure chromatography (7:1 hexanes:EtOAc) to afford the title compound (0.190 g). 1H NMR (400 MHz, CDCl3) δ 9.80 (s, 1H), 7.51 (d, 1H), 6.78 (d, 1H), 3.14 (t, 2H), 2.86 (t, 2H), 1.54 (s, 9H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US06998423B2 |
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| Source dataset | uspto-grants-2006_02 |
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| ORD ID | ord-2fb295bc36cd48778a89e93c4836bdcb |
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| Source note | uspto-grants-2006_02 |
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