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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1242754Generated: October 26, 2026

Hydrochloric Acid → n-((1r)-1-[(4-Chlorophenyl)methyl]-2-{4-[2-({[(2-nitrophenyl)methyl]sulfonyl}amino)phenyl]piperazinyl}-2-oxoethyl)((3s)(3-1,2,3,4-tetrahydroisoquinolyl))carboxamide

https://huagongshe.com/reaction/1242754

Reaction equation

Participants

RoleNameHCIDCharge
ReactantHydrochloric AcidHCID 313—
ReactantPyridineHCID 1049—
Reactant(2-nitrophenyl)methanesulfonyl ChlorideHCID 4305447—
ReactantTert-Butyl 4-(2-[(Methylsulfonyl)Amino]Phenyl)-PiperazinecarboxylateHCID 21935212—
Reactanttert-butyl 3-(N-{(1R)-2-[4-(2-aminophenyl)piperazinyl]-1-[(4-chlorophenyl)methyl]-2-oxoethyl}carbamoyl)(3S)-1,2,3,4-tetrahydroisoquinoline-2-carboxylateHCID 58714321—
Solvent1,2-DichloroethaneHCID 11—
SolventEthyl AcetateHCID 8857—
Productn-((1r)-1-[(4-Chlorophenyl)methyl]-2-{4-[2-({[(2-nitrophenyl)methyl]sulfonyl}amino)phenyl]piperazinyl}-2-oxoethyl)((3s)(3-1,2,3,4-tetrahydroisoquinolyl))carboxamideHCID 102836766.3%

Reaction Steps

Following the procedure for the synthesis of Preparation III, the title compound was prepared from tert-butyl 3-(N-{(1R)-2-[4-(2-aminophenyl)piperazinyl]-1-[(4-chlorophenyl)methyl]-2-oxoethyl}carbamoyl)(3S)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate (Preparation IX) (250 mg, 0.40 mmol) in ClCH2CH2Cl (1.5 mL), pyridine (0.040 mL, 0.44 mmol), and 2-nitro-α-toluenesulfonyl chloride (Aldrich) (104 mg, 0.44 mmol). The crude was treated with a soln of HCl satd EtOAc, which resulted in the precipitation of the salt. This material was collected by filtration, dried in vacuo, and recrystallized from MeOH to afford the product as the HCl salt (18 mg). MS (ESI, pos. ion) m/z: 717 (M+H). Calc'd for C36H37ClN6O4S: 716.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07115607B2
Source datasetuspto-grants-2006_10
ORD IDord-38392a7ce06147c38eb4718a8abb51a6
Source noteuspto-grants-2006_10