HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2367673Generated: October 30, 2026
Benzene, 1-bromo-3-nitro- → 3-Fluoro-3'-nitro-1,1'-biphenyl
https://huagongshe.com/reaction/2367673
Participants
| Role | Name | HCID | Charge |
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| Reactant | Benzene, 1-bromo-3-nitro- | HCID 11457 | — |
| Reactant | 1,4-Dioxane | HCID 31275 | — |
| Reactant | Potassium Phosphate, Tribasic | HCID 62657 | — |
| Reactant | 3-Fluorophenylboronic acid | HCID 2733986 | — |
| Catalyst | HCID 178418397 | HCID 178418397 | — |
| Solvent | Water | HCID 962 | — |
| Product | 3-Fluoro-3'-nitro-1,1'-biphenyl | HCID 57229028 | 97% |
Reaction Steps
A 25 mL microwave vessel was charged with 1-bromo-3-nitrobenzene (XLVIII) (0.61 g, 3.0 mmol), 3-fluorophenylboronic acid (XLIX) (0.46 g, 3.3 mmol), potassium phosphate tribasic (0.95 g, 4.5 mmol), 1,4-dioxane (15.0 mL), and water (3.0 mL). Tetrakis(triphenylphosphine)palladium(0) (0.17 g, 0.15 mmol) was added, and the reaction was placed in a microwave reactor for 1 h at 95° C. An additional 3-fluorophenylboronic acid (0.20 g) and tetrakis(triphenylphosphine)palladium(0) (0.05 g) were added, and the reaction was heated for another 1 h at 95° C. in a microwave reactor. The organic solvent was separated from the water and concentrated to a residue. The residue was then purified by flash chromatography using a 25 g Thomson normal phase silica gel cartridge (100% hexanes→1:99 EtOAc:hexanes) to afford 3′-fluoro-3-nitrobiphenyl (L) (0.63 g, 2.91 mmol, 97% yield) as a white solid. 1H NMR (DMSO-d6) δ ppm 8.48 (t, J=2.0 Hz, 1H), 8.26-8.24 (m, 1H), 8.20-8.18 (m, 1H), 7.78 (t, J=8 Hz, 1H), 7.70-7.68 (m, 1H), 7.67-7.65 (m, 1H), 7.59-7.56 (m, 1H), 7.32-7.28 (m, 1H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08697887B2 |
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| Source dataset | uspto-grants-2014_04 |
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| ORD ID | ord-3f6f6b9dfbaf4fd88249db1ef1ead840 |
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| Source note | uspto-grants-2014_04 |
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