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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1092030Generated: October 27, 2026

Cesium carbonate → Tert-butyl 4-(4-methoxycarbonylphenyl)-1,4-diazepane-1-carboxylate

https://huagongshe.com/reaction/1092030

Reaction equation

Participants

RoleNameHCIDCharge
ReactantCesium carbonateHCID 10796—
Reactant2-AcetylcyclohexanoneHCID 13400—
ReactantMethyl 4-iodobenzoateHCID 69273—
ReactantTert-butyl 1,4-diazepane-1-carboxylateHCID 2756058—
CatalystCopper iodideHCID 83717—
SolventDimethylformamideHCID 6228—
ProductTert-butyl 4-(4-methoxycarbonylphenyl)-1,4-diazepane-1-carboxylateHCID 5736268413.2%

Reaction Conditions

Temperature90 °C

Reaction Steps

Methyl 4-iodobenzoate (1.00 g, 3.82 mmol, 1.0 eq) was dissolved in DMF and tert-butyl 1,4-diazepane-1-carboxylate (765 mg, 3.82 mmol, 1.0 eq), caesium carbonate (2.49 g, 7.63 mmol, 2.0 eq), 2-acetylcyclohexanone (101 μl, 0.76 mmol, 0.20 eq [20 mol %]) and copper iodide (37 mg, 0.19 mmol, 0.05 eq [5 mol %]) were added. The reaction mixture was stirred at 90° C. under nitrogen for 7 h. The reaction mixture was evaporated, dissolved in DCM (50 ml), washed with water (20 ml), saturated ammonium chloride solution (20 ml), dried over MgSO4, filtered and evaporated. The crude product was purified by silica column chromatography, eluting with 0-1% MeOH in DCM. The product containing fractions were combined, evaporated and dried in vacuo to give tert-butyl 4-(4-methoxycarbonylphenyl)-1,4-diazepane-1-carboxylate (168 mg, 13%) as a yellow oil.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08129391B2
Source datasetuspto-grants-2012_03
ORD IDord-2d7e6897694b44608bc5b62d5ef7f99d
Source noteuspto-grants-2012_03