HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 599688Generated: October 30, 2026
Boron trifluoride etherate → HCID 67271716, compound
https://huagongshe.com/reaction/599688
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Boron trifluoride etherate | HCID 8000 | — |
| Reactant | Methyl 4-fluorobenzoate | HCID 67878 | — |
| Reactant | HCID 178418443 | HCID 178418443 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | HCID 67271716 | HCID 67271716 | 90% |
Reaction Steps
A solution of 4-fluoro-benzoic acid methyl ester (19.1 g, 114 mmol) in THF (300 mL) at −78° C. is treated with ethylmagnesium bromide (135 mL, 3.0 M). The reaction mixture is allowed to warm to 0° C. over 30 min and quenched with HCl (350 mL, 1.0 M). THF is removed under vacuum, and the residue is extracted with EtOAc (3×100 mL). The organic layer is dried over Na2SO4 and concentrated. The intermediate tertiary alcohol is dissolved in CH2Cl2 (200 mL), cooled to −40° C., and treated with BF3-Et2O (11.5 g, 91.0 mol). The reaction mixture is allowed to warm to 0° C. over 30 min and quenched with water (50 mL). The organic layer is dried over Na2SO4 and concentrated. The residue is purified using silica gel column chromatography (5% EtOAc/Hex) to afford the title compound (16.8 g, 90%).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07897789B2 |
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| Source dataset | uspto-grants-2011_03 |
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| ORD ID | ord-c71b03c51bae49078572bdc8053eb95e |
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| Source note | uspto-grants-2011_03 |
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