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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1092156Generated: October 27, 2026

Acetic Acid → Ethyl 4-(4-cyclopropyl-1,4-diazepan-1-yl)benzoate

https://huagongshe.com/reaction/1092156

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcetic AcidHCID 176—
Reactant(1-Ethoxycyclopropoxy)trimethylsilaneHCID 2734686—
ReactantSodium cyanoborohydrideHCID 5003444—
ReactantEthyl 4-(1,4-diazepan-1-yl)benzoateHCID 18425301—
SolventMethanolHCID 887—
SolventTetrahydrofuranHCID 8028—
ProductEthyl 4-(4-cyclopropyl-1,4-diazepan-1-yl)benzoateHCID 66589916118%

Reaction Conditions

Temperature60 °C

Reaction Steps

A solution of ethyl 4-(1,4-diazepan-1-yl)benzoate (0.621 g, 2.5 mmol), (1-ethoxycyclopropoxy)trimethylsilane (2.51 mL, 12.50 mmol) and acetic acid (0.286 mL, 5.00 mmol) in tetrahydrofuran (50 mL), methanol (5 mL) was treated with sodium cyanoborohydride (0.393 g, 6.25 mmol) at 20° C. The resulting solution was stirred at 60° C. for 18 h. The reaction mixture was cooled, filtered and evaporated to dryness. 1N HCl (40 ml) and water (60 ml) were added and the solution extracted with ethyl acetate (3×50 ml). The aqueous layer was basified to pH 10 with solid potassium carbonate and extracted with ethyl acetate (4×50 ml). The organic extracts washed with saturated NaCl (50 ml) and dried over MgSO4, filtered and evaporated to dryness. The crude product was purified by silica column chromatography, eluting with a gradient of 0 to 5% MeOH in DCM. Pure fractions were evaporated to dryness to afford ethyl 4-(4-cyclopropyl-1,4-diazepan-1-yl)benzoate (0.849 g, 118%) as a colourless oil.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08129391B2
Source datasetuspto-grants-2012_03
ORD IDord-be301a8700e642d2a7e16f0ad11b3662
Source noteuspto-grants-2012_03