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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 603187Generated: October 31, 2026

3,4-Dichlorophenyl isocyanate → (3R)-N-(3,4-dichlorophenyl)-4-[(1-ethylpiperidin-3-yl)methyl]-3-methylpiperazine-1-carboxamide

https://huagongshe.com/reaction/603187

Reaction equation

Participants

RoleNameHCIDCharge
Reactant3,4-Dichlorophenyl isocyanateHCID 7607—
ReactantPotassium CarbonateHCID 11430—
ReactantDiisopropylethylamineHCID 81531—
Reactant(R)-1-Boc-3-methylpiperazineHCID 2756811—
Reactant(1-Ethylpiperidin-3-yl)methyl 4-methylbenzenesulfonateHCID 57656762—
SolventAcetonitrileHCID 6342—
SolventDichloromethaneHCID 6344—
Product(3R)-N-(3,4-dichlorophenyl)-4-[(1-ethylpiperidin-3-yl)methyl]-3-methylpiperazine-1-carboxamideHCID 1153170667.6%

Reaction Conditions

Temperature100 °C

Reaction Steps

To a solution of tert-butyl (3R)-3-methylpiperazine-1-carboxylate (84 mg) and (1-ethylpiperidin-3-yl)methyl 4-methylbenzenesulfonate (150 mg) in acetonitrile (3 mL) was added potassium carbonate (233 mg). The mixture was heated to 100° C. in the microwave for 2 hours and then evaporated. The residue was purified by silica column chromatography, eluting with a gradient of 0 to 5% 7M NH3/MeOH in dichloromethane. To a solution of the isolated material (50 mg) in methanol (5 mL) was added 4M HCl in dioxane (0.5 mL). The mixture was stirred overnight at room temperature and then evaporated to give a colourless oil. To a mixture of this oil in dichloromethane (10 mL) was added di-iso-propylethylamine (0.11 mL) and 3,4-dichlorophenylisocyanate (35 mg). The mixture was stirred for 15 minutes and then evaporated. The residue was purified using reverse phase HPLC eluting with a mixture of 5-95% acetonitrile in water to give the title compound as a white foam (52 mg, 30%).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07906645B2
Source datasetuspto-grants-2011_03
ORD IDord-3aab4b2871be433396d4bd480a3dcf79
Source noteuspto-grants-2011_03