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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1813903Generated: November 4, 2026

Acetic Acid → benzyl 4-[3,4-dihydro-1(2H)-quinolinylimino]-1-azepanecarboxylate

https://huagongshe.com/reaction/1813903

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcetic AcidHCID 176—
ReactantAzepan-4-one, N-CBZ protectedHCID 1512681—
Reactant1,2,3,4-Tetrahydroquinolin-1-amineHCID 6423314—
SolventEthanolHCID 702—
Productbenzyl 4-[3,4-dihydro-1(2H)-quinolinylimino]-1-azepanecarboxylateHCID 7277707299.5%

Reaction Steps

A solution of 3,4-dihydro-1(2H)-quinolinylamine (2.97 g, 20.1 mmol), benzyl 4-oxo-1-azepanecarboxylate (4.96 g, 20.1 mmol), and glacial acetic acid (0.2 ml) in ethanol (200 ml) was allowed to reflux for 2.5 hours. The reaction was then cooled and evaporated in vacuo. The hydrazone product was purified by flash chromatography (90 g SiO2, 1% MeOH/CH2Cl2) providing benzyl 4-[3,4-dihydro-1(2H)-quinolinylimino]-1-azepanecarboxylate (7.55 g) as an oil. To a solution of benzyl 4-[3,4-dihydro-1(2H)-quinolinylimino]-1-azepanecarboxylate (6.79 g, 17.99 mmol) in ethanol (200 ml) was added trifluoroacetic acid (6.22 g, 53.96 mmol). The reaction was heated and allowed to stir at reflux for 2.5 hours, at which time it was cooled to rt., evaporated, and extracted into dichloromethane. This extract was washed with water, brine, dried with anhydrous sodium sulfate, and evaporated under reduced pressure. Crystallization from ethyl acetate/hexanes provided 2.93 g of the title compound (mp 131-133° C.). 1H NMR (CDCl3) δ 7.38, 7.29, 7.00, 6.86, 5.19, 3.98, 3.78, 2.97, 2.24; IR (drift) 2947, 1699, 1473, 1420, 1358, 1260, 1250, 1235, 1216, 1101, 997, 764, 757, 746, 703 cm−1.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS06875762B2
Source datasetuspto-grants-2005_04
ORD IDord-2090db9c14be4c9b841f6dff6d7eb7fa
Source noteuspto-grants-2005_04