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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1047056Generated: October 31, 2026

1,4-Dioxane hydrochloride → 5-{3-[4-(1-aminocyclobutyl)phenyl]-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-2-yl}-2-benzofuran-1(3H)-one

https://huagongshe.com/reaction/1047056

Reaction equation

Participants

RoleNameHCIDCharge
Reactant1,4-Dioxane hydrochlorideHCID 20443148—
Reactanttert-Butyl (1-{4-[2-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-3-yl]phenyl}cyclobutyl)carbamateHCID 69087728—
SolventMethanolHCID 887—
Product5-{3-[4-(1-aminocyclobutyl)phenyl]-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-2-yl}-2-benzofuran-1(3H)-oneHCID 6750305994.7%

Reaction Steps

tert-Butyl (1-{4-[2-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-3-yl]phenyl}cyclobutyl)carbamate (39 mg, 0.064 mmol) in MeOH (0.5 mL) was added 4N HCl-dioxane (2 mL) and stirred at r.t for 23 hours. The mixture was concentrated, then sat.NaHCO3 aq. was added. The mixture was extracted with CH2Cl2+MeOH (×2), dried over Na2SO4, then filtrated through Celite pad. The filtrate was concentrated and the residue was purified by preparative thin-layer chromatography (CH2Cl2/MeOH=10:1) to afford the desired product (31 mg, 94%) as a pale yellow solid. 1HNMR (DMSO-d6) 400 MHz δ: 8.62 (s, 1H), 8.10 (dd, J=5.2 Hz and 1.7 Hz, 1H), 7.98 (dd, J=8.0 Hz and 1.7 Hz, 1H), 7.85 (s, 1H), 7.72 (d, J=8.0 Hz, 1H), 7.55 (dd, J=8.6 Hz and 1.1 Hz, 1H), 7.51 (d, J=8.6 Hz, 2H), 7.37 (td, J=8.0 Hz and 1.7 Hz, 1H), 7.30 (d, J=7.4 Hz, 1H), 7.25 (d, J=8.0 Hz, 2H), 7.13 (td, J=8.0 Hz and 1.1 Hz, 1H), 6.91 (dd, J=8.0 Hz and 1.1 Hz, 1H), 6.75 (dd, J=8.0 Hz and 4.6 Hz, 1H), 5.39 (s, 2H), 2.45-2.41 (m, 2H), 2.23-2.18 (m, 2H), 2.10-2.02 (m, 1H), 1.77-1.70 (m, 1H). LCMS: 512 [M+H].

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08569331B2
Source datasetuspto-grants-2013_10
ORD IDord-1f8969d51ee447269f97510a5b49cf9a
Source noteuspto-grants-2013_10