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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1047484Generated: October 30, 2026

p-Chlorothiophenol → 2-[(4-Chloro-phenylsulfanyl)-(2,3,6-trifluoro-phenyl)-methyl]-malonic Acid Dimethyl Ester

https://huagongshe.com/reaction/1047484

Reaction equation

Participants

RoleNameHCIDCharge
Reactantp-ChlorothiophenolHCID 7815—
ReactantEthyl AcetateHCID 8857—
ReactantPotassium CarbonateHCID 11430—
Reactant2-(2,3,6-Trifluoro-benzylidene)-malonic Acid Dimethyl EsterHCID 58445302—
SolventWaterHCID 962—
SolventTetrahydrofuranHCID 8028—
Product2-[(4-Chloro-phenylsulfanyl)-(2,3,6-trifluoro-phenyl)-methyl]-malonic Acid Dimethyl EsterHCID 58445323—

Reaction Conditions

Temperature60 °C

Reaction Steps

2-(2,3,6-Trifluoro-benzylidene)-malonic acid dimethyl ester (6.5 g, 23.7 mmol) and 4-chlorothiophenol (5.1 g, 35.5 mmol) were dissolved in 100 mL THF. K2CO3 (5 g, excess) was added, the reaction mixture was stirred at 60° C. for three hours. 300 mL of EtOAc and 300 mL of water were added. The organic layer was separated, washed with water, dried over Na2SO4 and concentrated. The product was purified by column chromatography using EtOAc/hexane as the eluent. (Gradient from 0/100 to 25/75 in 45 min, 7.1 g, 72%). 1H NMR (CDCl3 400 MHz) δ 7.26 (m, 4H), 7.03 (m, 1H), 6.75 (m, 1H), 5.08 (d, J=11.7 Hz, 1H), 4.34 (d, J=12.4 Hz, 1H), 3.84 (s, 3H), 3.56 (s, 3H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08569521B2
Source datasetuspto-grants-2013_10
ORD IDord-da3c4c9d5a9e4e2a9ac5f8afe3621ad4
Source noteuspto-grants-2013_10