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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1797561Generated: November 4, 2026

Water → HCID 22176318, compound

https://huagongshe.com/reaction/1797561

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
Reactant1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochlorideHCID 2723939—
Reactant1-Hydroxybenzotriazole, ammonium saltHCID 22033809—
ReactantHCID 22175343HCID 22175343—
SolventDimethylformamideHCID 6228—
ProductHCID 22176318HCID 2217631869.8%

Reaction Steps

A solution of 3-[[(tert-butoxycarbonyl)amino]methyl]-4-(3-fluorophenyl)-2-isobutyl-1-oxo-1,2-dihydro-6-isoquinolinecarboxylic acid (1.17 g, 2.5 mmol), 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride (0.96 g, 5 mol) and 1-hydroxybenzotriazole ammonium salt (0.76 g, 5 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 obtained crystals were recrystallized from tetrahydrofuran-diisopropyl ether to give 3-[[(tert-butoxycarbonyl)amino]methyl]-4-(3-fluorophenyl)-2-isobutyl-1-oxo-1,2-dihydro-6-isoquinolinecarboxamide (0.81 g, 69.8%) as crystals.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07034039B2
Source datasetuspto-grants-2006_04
ORD IDord-785bd800caf9448190a09cefb7f6dcc4
Source noteuspto-grants-2006_04