HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1890247Generated: October 25, 2026
Potassium Fluoride → 4'-Cyano-6-methyl-biphenyl-3-carboxylic acid methyl ester
https://huagongshe.com/reaction/1890247
Participants
| Role | Name | HCID | Charge |
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| Reactant | Potassium Fluoride | HCID 522689 | — |
| Reactant | 2-(Dicyclohexylphosphino)biphenyl | HCID 2734216 | — |
| Reactant | 4-Cyanophenylboronic acid | HCID 2734326 | — |
| Reactant | Methyl 3-iodo-4-methylbenzoate | HCID 13614033 | — |
| Catalyst | palladium(II) acetate | HCID 167845 | — |
| Solvent | 1,4-Dioxane | HCID 31275 | — |
| Product | 4'-Cyano-6-methyl-biphenyl-3-carboxylic acid methyl ester | HCID 59436707 | — |
Reaction Steps
To a round-bottom flask containing 3-iodo-4-methyl-benzoic acid methyl ester (1.38 g, 5.00 mmol), 4-cyanophenylboronic acid (1.10 g, 7.48 mmol), palladium acetate (168 mg, 0.748 mmol), 2-(dicyclohexylphosphino)biphenyl (0.526 g, 1.50 mmol) and potassium fluoride (0.870 g, 15.0 mmol) is added anhydrous 1,4-dioxane (15 ml). The flask is purged with argon and sealed. The mixture is stirred at 130° C. for 18 hours, cooled to ambient temperature and then water (20 ml) and ethyl acetate (20 ml) are added. Solid is removed under vacuum filtration. The filtrate is extracted with EtOAc (20 ml×2). The organic layers are combined, washed with aqueous HCl (5%, 20 ml) and saturated NaHCO3 (20 ml). It is dried over MgSO4, and concentrated. The residue is purified by silica gel column chromatography (EtOAc/Hexane, gradient) to give 4′-cyano-6-methyl-biphenyl-3-carboxylic acid methyl ester 2; LC-MS m/z: 252.1 (M+1).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08507471B2 |
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| Source dataset | uspto-grants-2013_08 |
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| ORD ID | ord-9fb35076daf64d09989fbff917a15964 |
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| Source note | uspto-grants-2013_08 |
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