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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 417148Generated: October 26, 2026

Hydrochloric Acid → N-benzyl-2-[2-(4-chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-(4,4-difluoro-cyclohexyl)-acetamide

https://huagongshe.com/reaction/417148

Reaction equation

Participants

RoleNameHCIDCharge
ReactantHydrochloric AcidHCID 313—
Reactant4-Chlorobenzoic AcidHCID 6318—
ReactantBenzyl isocyanideHCID 82558—
ReactantSodium BicarbonateHCID 516892—
Reactant4,4-DifluorocyclohexanoneHCID 15789092—
Reactant6-{2-Cyclohexyl-2-[2-(2,6-dimethoxy-pyridin-3-yl)-5,6-difluoro-benzoimidazol-1-yl]-ethoxy}-nicotinic acidHCID 46185719—
SolventMethanolHCID 887—
Solvent1,4-DioxaneHCID 31275—
ProductN-benzyl-2-[2-(4-chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-(4,4-difluoro-cyclohexyl)-acetamideHCID 66619400—

Reaction Steps

To a solution of 3.8 g (15.56 mmol) (2-amino-4,5-difluoro-phenyl)-carbamic acid tert-butyl ester (Example 73, intermediate g) in 38 ml methanol, 2.54 g (17.12 mmol) 4,4-difluorocyclohexanone (commercially available) were added. After stirring for 5 min. at room temperature the solution was treated with 2.44 g (15.58 mmol) p-chlorobenzoic acid, followed by an addition of 1.9 ml (15.56 mmol) benzyl isocyanide (commercially available). To the viscous slurry 12 ml methanol were added and the reaction for 22.5 h. Then 19.45 ml (77.80 mmol) 4M hydrochloric acid in dioxane were added dropwise over 5 min. After 4.5 h another 19.45 ml (77.80 mmol) 4M hydrochloric acid in dioxane were added. After 24 h, the suspension was poured onto 300 ml aqueous saturated sodium bicarbonate solution and the phases were separated. The aqueous layer was extracted three times with ethyl acetate and the organic layers were washed with brine, dried over magnesium sulfate, filtered, and evaporated. The residue was purified by silica gel chromatography using a MPLC system (CombiFlash Companion, Isco Inc.) eluting with a gradient of heptane:ethyl acetate (100:0 to 50:50). Light yellow solid (76%). MS (Turbo Spray): m/z=530.2 [M+H].

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08088930B2
Source datasetuspto-grants-2012_01
ORD IDord-2fe0822dc2914dcb89b08bc3b7982ac4
Source noteuspto-grants-2012_01