4-Chlorophenyl Isocyanate → HCID 131735646, compound

Participants

Reaction Steps

(S)-1,1,1-Trifluoro-3-(4-methyl-3-phenyl-piperazin-1-yl)-propan-2-ol (180 mg, 0.62 mmol) and 1-chloro-4-isocyanatobenzene (115 mg, 0.75 mmol) were combined in acetonitrile (5 mL). The reaction mixture was stirred overnight and evaporated. The residue was purified by flash chromatography (20/1 dichloromethane/EtOAc then 20/1 dichloromethane/MeOH) to provide the desired product. To the free-base product was added 1M HCl/ether solution to provide HCl salt form, (4-chlorophenyl)-carbamic acid (S)-2,2,2-trifluoro-1-(4-methyl-3-phenyl-piperazin-1-ylmethyl)-ethyl ester hydrochloride (150 mg) as a white solid. (M+H)+=442 m/e.

Provenance & Evidence