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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 926245Generated: November 1, 2026

Dimethylformamide → 9-Iodo-3,4,7,8-tetrahydro-[1,4]diazepino[7,1-a]isoquinoline-2,5-dione

https://huagongshe.com/reaction/926245

Reaction equation

Participants

RoleNameHCIDCharge
ReactantDimethylformamideHCID 6228—
ReactantTriethylamineHCID 8471—
ReactantN-(tert-butoxycarbonyl)glycineHCID 78288—
ReactantPropylphosphonic anhydrideHCID 111923—
ReactantSodium BicarbonateHCID 516892—
ReactantEthyl 2-(5-iodo-1,2,3,4-tetrahydroisoquinolin-1-yl)acetateHCID 86711321—
ReactantEthyl 2-(2-(2-((tert-butoxycarbonyl)amino)acetyl)-5-iodo-1,2,3,4-tetrahydroisoquinolin-1-yl)acetateHCID 86711324—
SolventWaterHCID 962—
SolventEthyl AcetateHCID 8857—
Product9-Iodo-3,4,7,8-tetrahydro-[1,4]diazepino[7,1-a]isoquinoline-2,5-dioneHCID 86711379—

Reaction Steps

ethyl 2-(2-(2-((tert-butoxycarbonyl)amino)acetyl)-5-iodo-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate. A mixture of ethyl 2-(5-iodo-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate (39.5 g, 114 mmol), Boc-Gly-OH (20.1 g, 114 mmol) and Et3N (32 mL, 230 mmol) in AcOEt (570 mL) was treated with a solution of T3P in DMF (80 mL, 137 mmol)—exothermic. The mixture was stirred at RT for 15 h and H2O (200 mL) was then added. The pH was adjusted to 8 by addition of saturated aq. solution of NaHCO3, and the aq. phase was extracted with AcOEt. The combined org. phases were washed with brine, dried over Na2SO4, filtered and concentrated in vacuo to give the title compound (57.4 g) that was used as it is in the next step. UPLC-MS: MS 503.2 (M+H+); UPLC rt 1.20 min.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09284331B2
Source datasetuspto-grants-2016_03
ORD IDord-1c7ca17c12e04c9aa3750d3d06186603
Source noteuspto-grants-2016_03