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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 706055Generated: October 27, 2026

Methyl iodide → 2-{[4-Fluoro-3-(trifluoromethyl)phenyl]oxy}-5-({[1-methyl-4-oxo-5-(5-pyrimidinylmethyl)-1,4-dihydro-2-pyrimidinyl]thio}methyl)benzonitrile

https://huagongshe.com/reaction/706055

Reaction equation

Participants

RoleNameHCIDCharge
ReactantMethyl iodideHCID 6328—
ReactantDiisopropylethylamineHCID 81531—
Reactant5-(Pyrimid-5-ylmethyl)-2-thiouracilHCID 10966039—
Reactant5-(Chloromethyl)-2-{[4-fluoro-3-(trifluoromethyl)phenyl]oxy}benzonitrileHCID 67774581—
CatalystZinc bromideHCID 10421208—
SolventDichloromethaneHCID 6344—
SolventN-methyl-2-pyrrolidoneHCID 13387—
Product2-{[4-Fluoro-3-(trifluoromethyl)phenyl]oxy}-5-({[1-methyl-4-oxo-5-(5-pyrimidinylmethyl)-1,4-dihydro-2-pyrimidinyl]thio}methyl)benzonitrileHCID 6777597214.9%

Reaction Conditions

Temperature60 °C

Reaction Steps

To a solution of 5-(5-pyrimidinylmethyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone (70 mg, 0.318 mmol) and DIPEA (0.083 ml, 0.477 mmol) in DCM (2 mL) was added 5-(chloromethyl)-2-{[4-fluoro-3-(trifluoromethyl)phenyl]oxy}benzonitrile (105 mg, 0.318 mmol). The reaction mixture was heated at 60° C. overnight. After removing the solvent by nitrogen, the residue was dissolved in MeCN (4 ml), and NMP (1.5 mL), and ZnBr2 (107 mg, 0.477 mmol) and DIPEA (0.083 mL, 0.477 mmol) were added. The mixture was then stirred at 60° C. for 10 min. And MeI (0.020 mL, 0.318 mmol) was added dropwise, then stirred at 60° C. for 1.5 h. Purification via MDAP then afforded the title compound (25 mg, 12.28% yield). LCMS: rt=3.07 min, [M+H+]=528

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09174968B2
Source datasetuspto-grants-2015_11
ORD IDord-ff63d84ca8da4f5db0cf14ba1a68f842
Source noteuspto-grants-2015_11