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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1847915Generated: November 3, 2026

Ethyl Acetate → ethyl 3-(6-fluoro-5-nitro-1H-indol-2-yl)-3-methylbutanoate

https://huagongshe.com/reaction/1847915

Reaction equation

Participants

RoleNameHCIDCharge
ReactantEthyl AcetateHCID 8857—
ReactantEthyl 5-(2-amino-4-fluoro-5-nitrophenyl)-3,3-dimethylpent-4-ynoateHCID 59129516—
CatalystPalladium ChlorideHCID 24290—
SolventAcetonitrileHCID 6342—
Productethyl 3-(6-fluoro-5-nitro-1H-indol-2-yl)-3-methylbutanoateHCID 59129505100.3%

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

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08952049B2
Source datasetuspto-grants-2015_02
ORD IDord-c2b8d1547bba46728496a9caf06fcc8d
Source noteuspto-grants-2015_02