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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 474815Generated: October 27, 2026

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

https://huagongshe.com/reaction/474815

Reaction equation

Participants

RoleNameHCIDCharge
ReactantMethyl iodideHCID 6328—
ReactantDiisopropylethylamineHCID 81531—
Reactant5-(Pyrimid-5-ylmethyl)-2-thiouracilHCID 10966039—
Reactant2-(4-Chloro-3-(trifluoromethyl)phenoxy)-5-(chloromethyl)benzonitrileHCID 67773500—
CatalystZinc bromideHCID 10421208—
SolventDichloromethaneHCID 6344—
SolventN-methyl-2-pyrrolidoneHCID 13387—
Product2-{[4-Chloro-3-(trifluoromethyl)phenyl]oxy}-5-({[1-methyl-4-oxo-5-(5-pyrimidinylmethyl)-1,4-dihydro-2-pyrimidinyl]thio}methyl)benzonitrileHCID 6777555913.9%

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-chloro-3-(trifluoromethyl)phenyl]oxy}benzonitrile (110 mg, 0.318 mmol). The mixture was stirred 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 heated 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 (24 mg, 11.49% yield). LCMS: rt=3.20 min, [M+H+]=544

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08637536B2
Source datasetuspto-grants-2014_01
ORD IDord-a214c6cc58614c9785ce796bc938c523
Source noteuspto-grants-2014_01