Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1863895Generated: November 3, 2026

1,3-Dichloro-2-isothiocyanatobenzene → 2-[4-cyano-2-(2,6-dichloro-phenylamino)-3-methyl-3H-benzoimidazol-5-yl]-2-methyl-3-oxo-butyric acid ethyl ester

https://huagongshe.com/reaction/1863895

Reaction equation

Participants

RoleNameHCIDCharge
Reactant1,3-Dichloro-2-isothiocyanatobenzeneHCID 123239—
Reactant2-(4-Amino-2-cyano-3-methylamino-phenyl)-2-methyl-3-oxo-butyric acid ethyl esterHCID 11066161—
SolventTetrahydrofuranHCID 8028—
Product2-[4-cyano-2-(2,6-dichloro-phenylamino)-3-methyl-3H-benzoimidazol-5-yl]-2-methyl-3-oxo-butyric acid ethyl esterHCID 1203549654%

Reaction Steps

2,6-Dichlorophenyl isothiocyanate (3.46 g, 17.0 mmol), THF (100 mL), and 2-(4-amino-2-cyano-3-methylamino-phenyl)-2-methyl-3-oxo-butyric acid ethyl ester (4.91 g, 17.0 mmol), were added to a 250 mL round bottom flask equipped with a magnetic stir bar and the reaction was stirred at room temperature. After 2 hours, mercuric oxide (4.04 g, 18.7 mmol) was added and the reaction stirred for an additional 14 h. The resultant brown slurry was filtered through celite and washed with THF. The filtrate was concentrated and the residue triturated with diethyl ether to provide 2-[4-cyano-2-(2,6-dichloro-phenylamino)-3-methyl-3H-benzoimidazol-5-yl]-2-methyl-3-oxo-butyric acid ethyl ester (4.2 g, 54%) as a gray solid, which was used without further purification.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07625880B2
Source datasetuspto-grants-2009_12
ORD IDord-808b15d9eee24f68a0397523a7646eb9
Source noteuspto-grants-2009_12