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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 532881Generated: October 31, 2026

2-(5-bromo-1-(carboxymethyl)-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethanaminium chloride → 9-Bromo-3,4,7,8-tetrahydro-[1,4]diazepino[7,1-a]isoquinoline-2,5-dione

https://huagongshe.com/reaction/532881

Reaction equation

Participants

RoleNameHCIDCharge
Reactant2-(5-bromo-1-(carboxymethyl)-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethanaminium chlorideHCID 86711330—
Reactant2-(5-Bromo-2-(2-((tert-butoxycarbonyl)amino)acetyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acidHCID 86711332—
SolventHydrochloric AcidHCID 313—
Solvent1,4-DioxaneHCID 31275—
Product9-Bromo-3,4,7,8-tetrahydro-[1,4]diazepino[7,1-a]isoquinoline-2,5-dioneHCID 86711328—

Reaction Steps

2-(5-bromo-1-(carboxymethyl)-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethanaminium chloride. To a stirred solution of 2-(5-bromo-2-(2-((tert-butoxycarbonyl)amino)acetyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid (110 g, 257 mmol) in dioxane (1290 mL), 4N HCl in dioxane (644 mL, 2574 mmol) was added and the reaction mixture was stirred at RT for 24 h. The white precipitate was filtered off and the white solid was washed with a small amount of diethyl ether (2×). The HCl salt was dried under high vacuo overnight to yield the title compound as white solid (88 g). UPLC-MS: MS 327.1/329.1 (M+H+); UPLC rt 0.56 min.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08853203B2
Source datasetuspto-grants-2014_10
ORD IDord-f921885690bc47cfb8b2544858814f07
Source noteuspto-grants-2014_10