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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 926306Generated: October 31, 2026

Hydrochloric Acid → 9-Acetyl-3,4,7,8-tetrahydro-[1,4]diazepino[7,1-a]isoquinoline-2,5-dione

https://huagongshe.com/reaction/926306

Reaction equation

Participants

RoleNameHCIDCharge
ReactantHydrochloric AcidHCID 313—
ReactantSodium BicarbonateHCID 516892—
ReactantStannane, tributyl(1-ethoxyethenyl)-HCID 619414—
Reactant9-Iodo-3,4,7,8-tetrahydro-[1,4]diazepino[7,1-a]isoquinoline-2,5-dioneHCID 86711379—
CatalystHCID 178418397HCID 178418397—
SolventTetrahydrofuranHCID 8028—
Solvent1,4-DioxaneHCID 31275—
Product9-Acetyl-3,4,7,8-tetrahydro-[1,4]diazepino[7,1-a]isoquinoline-2,5-dioneHCID 8671137869.6%

Reaction Conditions

Temperature140 °C

Reaction Steps

100-1. A mixture of 9-iodo-3,4,7,8-tetrahydro-[1,4]diazepino[7,1-a]isoquinoline-2,5-dione (150 mg, 0.42 mmol), tributyl(1-ethoxyvinyl)stannane (153 mg, 0.42 mmol) and Pd(PPh3)4 (49 mg, 0.04 mmol) in dioxane (3 mL) was heated to 140° C. for 2 h in a microwave reactor. The mixture was then concentrated in vacuo and the residue obtained was purified by flash chromatography (SiO2, heptane to AcOEt to AcOEt/MeOH 85:15) afforded the compound obtained was taken up in THF (20 mL) and treated with a 2M aqueous solution of HCl (0.68 mL, 1.36 mmol). The solution was stirred at RT for 1 h and then concentrated in vacuo. The residue obtained was taken up in a saturated aq. solution of NaHCO3 and extracted with DCM. The combined org. layers were then dried over Na2SO4, filtered and concentrated in vacuo to give the title compound (79 mg). UPLC-MS: MS 271.2 (M+H+); UPLC rt 0.59 min.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09284331B2
Source datasetuspto-grants-2016_03
ORD IDord-7b1febf72aaf4c419fe5a2244bfae817
Source noteuspto-grants-2016_03