HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 587697Generated: October 28, 2026
Cesium carbonate → tert-Butyl 5-ethenyl-1H-indole-1-carboxylate
https://huagongshe.com/reaction/587697
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Cesium carbonate | HCID 10796 | — |
| Reactant | Triphenylphosphine | HCID 11776 | — |
| Reactant | 5-Bromoindole | HCID 24905 | — |
| Reactant | 5-Ethenyl-1H-indole | HCID 12610372 | — |
| Reactant | Potassium vinyltrifluoroborate | HCID 23679353 | — |
| Catalyst | Palladium Chloride | HCID 24290 | — |
| Solvent | Oxolane--water (1/1) | HCID 21881883 | — |
| Product | tert-Butyl 5-ethenyl-1H-indole-1-carboxylate | HCID 66890900 | — |
Reaction Steps
5-Vinyl-1H-indole (BI18): A mixture of 5-bromo-1H-indole (2.5 g, 12.82 mmol), potassium vinyltrifluoroborate (2.57 g, 19.2 mmol), Cs2CO3 (12.53 g, 38.46 mmol) and triphenylphosphine (201 mg, 0.769 mmol) in THF/water (9:1, 75 ml) was degassed with argon for 20 min, then charged with PdCl2 (45.3 mg, 0.256 mmol). The reaction mixture was heated to reflux for 16 h, then cooled to ambient temperature, filtered through Celite® bed and washed with EtOAc. The filtrate was again extracted with EtOAc, and the combined organic layer washed with water and brine, dried over Na2SO4 and concentrated under reduced pressure to afford the crude compound. The crude compound was purified by column chromatography (SiO2, 100-200 mesh; 2% EtOAc/petroleum ether) to afford the title compound as a light brown gummy material (1.5 g, 83%): 1H NMR (400 MHz, CDCl3) δ 8.20 (br, 1H), 7.68 (s, 1H), 7.45 (s, 2H), 7.21 (m, 1H), 6.90 (dd, J=16.0, 10.8 Hz, 1H), 6.55 (m, 1H), 5.75 (d, J=10.5 Hz, 1H), 5.21 (d, J=10.5 Hz, 1H); ESIMS m/z 142.05 ([M−H]−).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09226501B2 |
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| Source dataset | uspto-grants-2016_01 |
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| ORD ID | ord-1aad2d8b69cb46118f1c38fa12a0b2b1 |
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| Source note | uspto-grants-2016_01 |
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