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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2420920Generated: November 1, 2026

1,4-Dioxane → 1,1,1,3,3,3-Hexafluoro-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propan-2-ol

https://huagongshe.com/reaction/2420920

Reaction equation

Participants

RoleNameHCIDCharge
Reactant1,4-DioxaneHCID 31275—
ReactantTricyclohexylphosphineHCID 75806—
ReactantPotassium AcetateHCID 517044—
ReactantInChI=1/C2H5BO2/c1-2-5-3-4-1/h3H,1-2HHCID 5326306—
Reactant2-(4-Bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-olHCID 23233570—
Catalyst(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one; palladiumHCID 6505921—
Product1,1,1,3,3,3-Hexafluoro-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propan-2-olHCID 5916631538%

Reaction Conditions

Temperature80 °C

Reaction Steps

To a suspension of Pd(dba)2 (100 mg, 0.20 mmol) and PCy3 (130 mg, 0.50 mmol) in dioxane (8 mL) were added potassium acetate (920 mg, 9.4 mmol), 4,4,4′,4′,5,5,5′,5′-octamethyl-2,2′-bi(1,3,2-dioxaborolane (1.8 g, 7.1 mmol) and 2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (2.0 g, 6.2 mmol). The mixture was heated at 80° C. overnight. The mixture was quenched with H2O and the aqueous layer was extracted with ethyl acetate. The combined organic layers were washed with brine, dried over MgSO4, and concentrated under reduced pressure. The residue was purified by column chromatography (0-5% ethyl acetate-petroleum ether) to afford 1,1,1,3,3,3-hexafluoro-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propan-2-ol (870 mg, 38%). 1H NMR (CDCl3, 400 MHz) δ 7.89 (d, J=8.0 Hz, 2H), 7.71 (d, J=8.0 Hz, 2H), 3.50 (s, 1H), 1.35 (s, 12H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07956052B2
Source datasetuspto-grants-2011_06
ORD IDord-087dafde713e4c57849ec532c8c5b40e
Source noteuspto-grants-2011_06