HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1908481Generated: October 27, 2026
t-Butyl bromide → 3-(tert-Butyl)-6-nitro-1h-indole
https://huagongshe.com/reaction/1908481
Participants
| Role | Name | HCID | Charge |
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| Reactant | t-Butyl bromide | HCID 10485 | — |
| Reactant | 6-Nitro-1H-indole | HCID 78502 | — |
| Reactant | Diisopropylethylamine | HCID 81531 | — |
| Catalyst | Tetrabutylammonium Iodide | HCID 67553 | — |
| Catalyst | Zinc trifluoromethanesulfonate | HCID 104671 | — |
| Solvent | Toluene | HCID 1140 | — |
| Product | 3-(tert-Butyl)-6-nitro-1h-indole | HCID 57470198 | 22% |
Reaction Steps
To a mixture of 6-nitroindole (1.0 g, 6.2 mmol), zinc triflate (2.1 g, 5.7 mmol), and TBAI (1.7 g, 5.2 mmol) in anhydrous toluene (11 mL) was added DIEA (1.5 g, 11 mmol) at room temperature under nitrogen. The reaction mixture was stirred for 10 min at 120° C., followed by the addition of t-butyl bromide (0.71 g, 5.2 mmol). The resulting mixture was stirred for 45 min at 120° C. The solid was filtered off and the filtrate was concentrated to dryness. The residue was purified by column chromatography on silica gel (petroleum ether/ethyl acetate=20:1) to give 3-tert-butyl-6-nitro-1H-indole (0.25 g, 19%) as a yellow solid. 1H-NMR (CDCl3) δ 8.32 (d, J=2.1 Hz, 1H), 8.00 (dd, J=2.1, 14.4 Hz, 1H), 7.85 (d, J=8.7 Hz, 1H), 7.25 (s, 1H), 1.46 (s, 9H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08598181B2 |
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| Source dataset | uspto-grants-2013_12 |
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| ORD ID | ord-0560ba8f86c14ac3a112798d1a4ff18b |
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| Source note | uspto-grants-2013_12 |
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