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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2267345Generated: October 30, 2026

2,3-Dichloro-5,6-dicyano-1,4-benzoquinone → 2-(2-(4-Fluoro-benzyl)-5-(5-chloro-2-(methylthio)pyrimidin-4-yl)thiophen-3-yl)ethanol

https://huagongshe.com/reaction/2267345

Reaction equation

Participants

RoleNameHCIDCharge
Reactant2,3-Dichloro-5,6-dicyano-1,4-benzoquinoneHCID 6775—
ReactantSodium HydroxideHCID 14798—
Reactant5-Chloro-2-(methylthio)pyrimidineHCID 4737063—
Reactant2-(2-(4-Fluorobenzyl)thiophen-3-yl)ethanolHCID 57428830—
ReactantButyllithiumHCID 178418339—
SolventWaterHCID 962—
SolventTetrahydrofuranHCID 8028—
Product2-(2-(4-Fluoro-benzyl)-5-(5-chloro-2-(methylthio)pyrimidin-4-yl)thiophen-3-yl)ethanolHCID 6020446328%

Reaction Conditions

Temperature-78 °C

Reaction Steps

n-Butyllithium (5.4 mL, 1.6 M in hexanes, 8.63 mmol) was added dropwise to a solution of 2-(2-(4-fluorobenzyl)thiophen-3-yl)ethanol (0.97 g, 4.11 mmol) in anhydrous tetrahydrofuran (15 mL) at −78° C. The resulting mixture was stirred at −78° C. for 1 h and then a solution of 5-chloro-2-(methylthio)pyrimidine (0.79 g, 4.93 mmol) in 1 mL of tetrahydrofuran was added slowly. The mixture was stirred at −78° C. for 1 h and then at −40° C. for 2 h. The reaction was quenched with a solution (1.1 mL) of acetic acid and methanol (1:1) at −40° C. and then a solution of 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (0.1.1 g, 4.93 mmol) in tetrahydrofuran (1 mL) was added. After complete addition the reaction was stirred at −40° C. for 1 h, then warmed to rt. 10 mL of aqueous sodium hydroxide (2 M) and 50 mL of water were added and the mixture was extracted with ethyl acetate (3×50 mL). The combined organic layers were washed with brine (80 mL), dried over anhydrous sodium sulfate and filtered. The solvent was evaporated in vacuo and the product purified by flash chromatography eluting with ethyl acetate/hexane (1:4) to afford the title compound (0.45 g, 28%). MS (M+H)+ 395/397.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07858785B2
Source datasetuspto-grants-2010_12
ORD IDord-2991c4b5c8114b56a0430dfb172f657a
Source noteuspto-grants-2010_12