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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 495789Generated: October 25, 2026

1-Hydroxybenzotriazole → N-((1R)-1-(N-((1R)-2-(2-Fluorophenyl)-1-(methylcarbamoyl)ethyl)-N-methyl-carbamoyl)-2-(2-naphthyl)ethyl)-N-methylcarbamic acid tert-butylester

https://huagongshe.com/reaction/495789

Reaction equation

Participants

RoleNameHCIDCharge
Reactant1-HydroxybenzotriazoleHCID 75771—
ReactantN-(tert-butoxycarbonyl)glycineHCID 78288—
ReactantDiisopropylethylamineHCID 81531—
ReactantHOAtHCID 181649—
Reactant1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochlorideHCID 2723939—
Reactant2-(Tert-butoxycarbonylmethylamino)-3-(2-naphthyl)propionic acidHCID 22327001—
Reactant(2R)-3-(2-Fluorophenyl)-N-methyl-2-(methylamino)propionamideHCID 54111884—
SolventDichloromethaneHCID 6344—
ProductN-((1R)-1-(N-((1R)-2-(2-Fluorophenyl)-1-(methylcarbamoyl)ethyl)-N-methyl-carbamoyl)-2-(2-naphthyl)ethyl)-N-methylcarbamic acid tert-butylesterHCID 5367163869%

Reaction Steps

Tert-Butoxycarbonylaminoacetic acid (0.18 g; 2.39 mmol) was dissolved in methylene chloride (20 mL). 1-Hydroxybenzotriazole (0.32 g; 2.39 mmol) and N-(3-dimethylaminopropyl)-N′-ethylcarbodiimide hydrochloride (0.55 g; 2.87 mmol) were added and the reaction mixture was stirred for 15 min at room temperature. (2R)-3-(2-Fluorophenyl)-N-methyl-2-(methylamino)propionamide (1.0 g; 4.78 mmol) and diisopropylethylamine (0.9 mL; 5.26 mmol) was added and the reaction mixture was stirred for 12 hours at room temperature. A mixture of 2-(tert-butoxycarbonylmethylamino)-3-(2-naphthyl)propionic acid (0.78 g; 2.39 mmol), 1-hydroxy-7-azabenzotriazole (0.33 g; 2.39 mmol) and N-(3-dimethylaminopropyl)-N′-ethylcarbodiimide hydrochloride (0.55 g; 2.87 mmol) were dissolved in methylene chloride (20 mL) and added to the reaction mixture. The reaction mixture was stirred for 12 hours at room temperature. Methylene chloride (50 mL) was added and the reaction mixture was washed with water (30 mL), an aqueous solution of sodium hydrogen sulfate (10%; 30 mL), an aqueous solution of sodium hydrogen carbonate/sodium carbonate (pH 9; 30 mL) and water (30 mL) and dried (magnesium sulfate). The solvent was removed in vacuo and the residue was chromatographed on silica (2.5×30 cm) using ethyl acetate/heptane (2:1) as eluent to afford 0.86 g of N-((1R)-1-(N-((1R)-2-(2-fluorophenyl)-1-(methylcarbamoyl)ethyl)-N-methylcarbamoyl)-2-(2-naphthyl)ethyl)-N-methyl-carbamic acid tert-butylester.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS06939880B2
Source datasetuspto-grants-2005_09
ORD IDord-d64104bcf41b4169b1ca0270290a763d
Source noteuspto-grants-2005_09