HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 475668Generated: October 29, 2026
Water → 3'-Fluoro-4'-methylbiphenyl-2-carboxylic acid t-butyl ester
https://huagongshe.com/reaction/475668
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Water | HCID 962 | — |
| Reactant | Isopropanol | HCID 3776 | — |
| Reactant | Sodium Carbonate | HCID 10340 | — |
| Reactant | 3-Fluoro-4-methylbenzeneboronic acid | HCID 2782674 | — |
| Reactant | tert-Butyl 2-bromobenzoate | HCID 3804415 | — |
| Catalyst | HCID 178418397 | HCID 178418397 | — |
| Product | 3'-Fluoro-4'-methylbiphenyl-2-carboxylic acid t-butyl ester | HCID 57483940 | 76.6% |
Reaction Steps
Compound A (80.0 g, 311 mmol) and 3-fluoro-4-methylphenylboronic acid (52.7 g, 342 mmol) were suspended in isopropyl alcohol (260 mL, 3.5 mol). A solution of sodium carbonate (56.1 g, 529 mmol) in water (260 mL, 15 mol) was added and the mixture was degassed under nitrogen. Tetrakis(triphenylphosphine)palladium(0) (3.6 g, 3.1 mmol) was then added and the mixture was stirred at 90° C. for 17 hours. The mixture was concentrated under reduced pressure and suspended in water (200 mL). The aqueous phase was extracted with EtOAc (600 mL) and separated. The organic phase was washed with saturated aqueous NaCl and concentrated under reduced pressure. The recovered oil was purified by silica gel chromatography (4-6% 5×120 g column) to yield compound B as a clear oil (68.2 g).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08637562B2 |
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| Source dataset | uspto-grants-2014_01 |
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| ORD ID | ord-42eba26a4feb4aff94b1503ef8fed07e |
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| Source note | uspto-grants-2014_01 |
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