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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1797644Generated: October 30, 2026

Water → HCID 22176022, compound

https://huagongshe.com/reaction/1797644

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
Reactant1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochlorideHCID 2723939—
Reactant1-Hydroxybenzotriazole, ammonium saltHCID 22033809—
ReactantHCID 22175234HCID 22175234—
SolventDimethylformamideHCID 6228—
ProductHCID 22176022HCID 2217602290%

Reaction Steps

A solution of (E)-3-[3-[[(tert-butoxycarbonyl)amino]methyl]-4-(4-chlorophenyl)-2-isobutyl-1-oxo-1,2-dihydro-6-isoquinolinyl]-2-propenic acid (0.20 g, 0.4 mmol), 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride (0.15 g, 0.8 mmol) and 1-hydroxybenzotriazole ammonium salt (0.12 g, 0.8 mmol) in N,N-dimethylformamide (10 ml) was stirred at room temperature for 2 h. The reaction mixture was poured into water and extracted with ethyl acetate. The extract was washed with brine, dried over anhydrous magnesium sulfate and concentrated under reduced pressure. The residue was crystallized from ethyl acetate-n-hexane to give (E)-3-[3-[[(tert-butoxycarbonyl)amino]methyl]-4-(4-chlorophenyl)-2-isobutyl-1-oxo-1,2-dihydro-6-isoquinolinyl]-2-propenamide (0.18 g, 90.0%) as crystals.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07034039B2
Source datasetuspto-grants-2006_04
ORD IDord-2e9f121f0fda4db6862817ee900a2e5c
Source noteuspto-grants-2006_04