HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 74003Generated: October 25, 2026
Water → 2-Tert-butyl-4-(2-ethoxyphenyl)-5-nitrophenol
https://huagongshe.com/reaction/74003
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Water | HCID 962 | — |
| Reactant | Potassium Carbonate | HCID 11430 | — |
| Reactant | (2-Ethoxyphenyl)boronic acid | HCID 2734902 | — |
| Reactant | 2-Tert-butyl-4-bromo-5-nitrophenol | HCID 57470236 | — |
| Catalyst | HCID 178418397 | HCID 178418397 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Product | 2-Tert-butyl-4-(2-ethoxyphenyl)-5-nitrophenol | HCID 57470240 | 97.2% |
Reaction Steps
To a solution of 2-tert-butyl-4-bromo-5-nitrophenol (C-14-a) (8.22 g, 30 mmol) in DMF (90 mL) was added 2-ethoxyphenyl boronic acid (5.48 g, 33 mmol), potassium carbonate (4.56 g, 33 mmol), water (10 ml) and Pd(PPh3)4 (1.73 g, 1.5 mmol). The mixture was heated at 90° C. for 3 h under nitrogen. The solvent was removed under reduced pressure. The residue was partitioned between water and ethyl acetate. The combined organic layers were washed with water and brine, dried and purified by column chromatography (petroleum ether-ethyl acetate, 10:1) to afford 2-tert-butyl-4-(2-ethoxyphenyl)-5-nitrophenol (9.2 g, 92%). 1H NMR (DMSO-d6) δ 10.38 (s, 1H), 7.36 (s, 1H), 7.28 (m, 2H), 7.08 (s, 1H), 6.99 (t, 1H, J=7.35 Hz), 6.92 (d, 1H, J=8.1 Hz), 3.84 (q, 2H, J=6.6 Hz), 1.35 (s, 9H), 1.09 (t, 3H, J=6.6 Hz); ESI-MS 314.3 m/z (MH+).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08829204B2 |
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| Source dataset | uspto-grants-2014_09 |
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| ORD ID | ord-6cb6e0d7921243efbb85a3795c2e1928 |
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| Source note | uspto-grants-2014_09 |
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