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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1797582Generated: November 2, 2026

Water → HCID 22175330, compound

https://huagongshe.com/reaction/1797582

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
Reactant1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochlorideHCID 2723939—
Reactant1-Hydroxybenzotriazole, ammonium saltHCID 22033809—
ReactantHCID 22175613HCID 22175613—
SolventDimethylformamideHCID 6228—
ProductHCID 22175330HCID 2217533087.9%

Reaction Steps

A solution of (E)-3-[4-butoxy-3-[[(tert-butoxycarbonyl)amino]methyl]-2-neopentyl-1-oxo-1,2-dihydro-6-isoquinolinyl]-2-propenic acid (0.34 g, 0.7 mmol), 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride (0.27 g, 1.4 mmol) and 1-hydroxybenzotriazole ammonium salt (0.21 g, 1.4 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 ethyl acetate-diisopropyl ether to give (E)-3-[4-butoxy-3-[[(tert-butoxycarbonyl)amino]methyl]-2-neopentyl-1-oxo-1,2-dihydro-6-isoquinolinyl]-2-propenamide (0.29 g, 87.9%) as crystals.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07034039B2
Source datasetuspto-grants-2006_04
ORD IDord-41608549daac437bae98f5357e1eacaa
Source noteuspto-grants-2006_04