HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 578788Generated: October 31, 2026
Phenylacetylene → 1-Fluoro-5-methoxy-2-nitro-4-(2-phenylethynyl)benzene
https://huagongshe.com/reaction/578788
Participants
| Role | Name | HCID | Charge |
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| Reactant | Phenylacetylene | HCID 10821 | — |
| Reactant | 1-Bromo-4-fluoro-2-methoxy-5-nitrobenzene | HCID 68996065 | — |
| Catalyst | Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI) | HCID 24350 | — |
| Catalyst | Tetrakis(triphenylphosphine)palladium | HCID 11979704 | — |
| Solvent | Diisopropylamine | HCID 7912 | — |
| Solvent | Ethyl Acetate | HCID 8857 | — |
| Product | 1-Fluoro-5-methoxy-2-nitro-4-(2-phenylethynyl)benzene | HCID 68995941 | 101.2% |
Reaction Steps
A mixture of 2-bromo-5-fluoro-4-nitroanisole (0.46 g), phenylacetylene (67 mg), tetrakis(triphenylphosphine) -palladium(0) (38 mg) and copper (I) iodide (13 mg) in N,N-diisopropylamine (5 mL) was stirred at room temperature overnight. The reaction mixture was diluted with ethyl acetate. The insoluble material was removed by filtration, and the filtrate was concentrated under reduced pressure. The residue was purified by column chromatography on silica gel (eluent: n-hexane/ethyl acetate=10/1−5/1) to give 5-fluoro-4-nitro-2-phenylethynylanisole (0.18 g). This material was dissolved in ethyl acetate (5 mL). To the solution was added 10% palladium-carbon powder (0.45 g), and the mixture was stirred at room temperature under a hydrogen atmosphere for 3 hours. The insoluble material was removed by filtration, and the filtrate was concentrated under reduced pressure. The residue was purified by column chromatography on silica gel (eluent: n-hexane/ethyl acetate=10/1−4/1) to give the title compound (87 mg).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09040693B2 |
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| Source dataset | uspto-grants-2015_05 |
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| ORD ID | ord-412419cdc32249eaa8dc39f5a712a74b |
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| Source note | uspto-grants-2015_05 |
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