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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 926244Generated: November 1, 2026

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

https://huagongshe.com/reaction/926244

Reaction equation

Participants

RoleNameHCIDCharge
ReactantSodium BicarbonateHCID 516892—
ReactantSodium cyanoborohydrideHCID 5003444—
Reactant(Z)-ethyl 2-(5-iodo-3,4-dihydroisoquinolin-1(2H)-ylidene)acetateHCID 86711320—
ReactantEthyl 2-(5-iodo-1,2,3,4-tetrahydroisoquinolin-1-yl)acetateHCID 86711321—
SolventAcetic AcidHCID 176—
SolventEthanolHCID 702—
Product9-Iodo-3,4,7,8-tetrahydro-[1,4]diazepino[7,1-a]isoquinoline-2,5-dioneHCID 86711379—

Reaction Steps

ethyl 2-(5-iodo-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate. A solution of (Z)-ethyl 2-(5-iodo-3,4-dihydroisoquinolin-1(2H)-ylidene)acetate (40.0 g, 116 mmol) in dry EtOH (430 mL) was treated with AcOH (33 mL) and NaBH3CN (9.63 g, 146 mmol) portionwise at RT under Ar. The mixture was stirred at RT for 1.5 h, and another load of NaBH3CN (3.85 g, 58 mmol) was then added portionwise. The mixture was stirred for another 1.5 h, and then poured onto a saturated aq. solution of NaHCO3. The pH was adjusted to 8, and the mixture was then extracted with AcOEt. The combined org. layers were dried over Na2SO4, filtered and concentrated in vacuo to give the title compound (39.5 g) as an orange oil that was used as it is in the next step. UPLC-MS: MS 346.1 (M+H+); UPLC rt 0.66 min.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09284331B2
Source datasetuspto-grants-2016_03
ORD IDord-69b515e39ea84deea39e69bac24fa3da
Source noteuspto-grants-2016_03