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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1403887Generated: October 31, 2026

Water → 2-Tert-butyl-6-fluoro-5-nitro-1H-indole

https://huagongshe.com/reaction/1403887

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantTetrabutylammonium FluorideHCID 2724141—
ReactantN-(2-(3,3-dimethylbut-1-ynyl)-5-fluoro-4-nitrophenyl)butyramideHCID 59129414—
SolventDimethylformamideHCID 6228—
Product2-Tert-butyl-6-fluoro-5-nitro-1H-indoleHCID 5342118665%

Reaction Steps

A solution of N-(2-(3,3-dimethylbut-1-ynyl)-5-fluoro-4-nitrophenyl)butyramide (3.0 g, 9.8 mmol) and TBAF (4.5 g, 17.2 mmol) in DMF (25 mL) was heated at 100° C. overnight. The mixture was poured into water and then extracted with EtOAc (80 mL×3). The combined extracts were washed with water (50 mL) and brine (50 mL), dried over Na2SO4 and concentrated under reduced pressure to dryness. The residue was purified by column chromatography on silica gel (petroleum ether/ethyl acetate 20:1) to give compound 2-tert-butyl-6-fluoro-5-nitro-1H-indole (1.5 g, 65%). 1H-NMR (400 MHz, CDCl3) δ 8.30 (d, J=7.2 Hz, 1H), 7.12 (d, J=11.6 Hz, 1H), 6.35 (d, J=1.2 Hz, 1H), 1.40 (s, 9H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08912199B2
Source datasetuspto-grants-2014_12
ORD IDord-4e2ff521c4f74acdb5211cbff6e49fa7
Source noteuspto-grants-2014_12