HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 468513Generated: October 29, 2026
Ethyl Acetate → ethyl 3-(6-fluoro-5-nitro-1H-indol-2-yl)-3-methylbutanoate
https://huagongshe.com/reaction/468513
Participants
| Role | Name | HCID | Charge |
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| Reactant | Ethyl Acetate | HCID 8857 | — |
| Reactant | Ethyl 5-(2-amino-4-fluoro-5-nitrophenyl)-3,3-dimethylpent-4-ynoate | HCID 59129516 | — |
| Catalyst | Palladium Chloride | HCID 24290 | — |
| Solvent | Acetonitrile | HCID 6342 | — |
| Product | ethyl 3-(6-fluoro-5-nitro-1H-indol-2-yl)-3-methylbutanoate | HCID 59129505 | 100.3% |
Reaction Steps
To a mixture of ethyl 5-(2-amino-4-fluoro-5-nitrophenyl)-3,3-dimethylpent-4-ynoate (34.5 g, 0.11 mol) and PdCl2 (10.4 g, 58.6 nmol) in CH3CN (350 mL) was heated to reflux for 1.5 hours. The reaction mixture was cooled down to room temperature. Ethyl acetate (300 mL) was added, the precipitate was filtered off and washed with methanol. The filtrate was concentrated under reduced pressure and the residue was purified by column chromatography on silica gel (petroleum ether/ethyl acetate 40:1) to give ethyl 3-(6-fluoro-5-nitro-1H-indol-2-yl)-3-methylbutanoate (34.0 g, 98%) as a deep yellow solid. 1H NMR (300 MHz, CDCl3) δ 10.11 (brs, 1H), 8.30 (d, J=7.2 Hz, 1H), 7.14 (d, J=11.7 Hz, 1H), 6.35 (d, J=1.5 Hz, 1H), 4.17 (q, J=7.2 Hz, 2H), 2.69 (s, 2H), 1.51 (s, 6H), 1.25 (t, J=7.2 Hz, 3H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08623905B2 |
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| Source dataset | uspto-grants-2014_01 |
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| ORD ID | ord-520d66e37ed542e19798e35c09a3501e |
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| Source note | uspto-grants-2014_01 |
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