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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1911461Generated: October 31, 2026

Benzoic acid, 4-fluoro-, ethyl ester → Ethyl 4-(4-isopropyl-1,4-diazepan-1-yl)benzoate

https://huagongshe.com/reaction/1911461

Reaction equation

Participants

RoleNameHCIDCharge
ReactantBenzoic acid, 4-fluoro-, ethyl esterHCID 67976—
Reactant1-(Propan-2-yl)-1,4-diazepaneHCID 12236513—
SolventDimethyl SulfoxideHCID 679—
SolventWaterHCID 962—
ProductEthyl 4-(4-isopropyl-1,4-diazepan-1-yl)benzoateHCID 6658977736.5%

Reaction Steps

A solution of ethyl 4-fluorobenzoate (0.293 mL, 2 mmol) and 1-isopropyl-1,4-diazepane (0.539 mL, 4.00 mmol) in dimethylsulfoxide (10 mL), was heated at 120° C. for 18 h. The reaction mixture was diluted with water (75 ml) and extracted with ethyl acetate (3×25 ml). The extracts were washed with saturated sodium chloride solution (50 ml), 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-isopropyl-1,4-diazepan-1-yl)benzoate (0.212 g, 36.5%) as a yellow oil.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08604022B2
Source datasetuspto-grants-2013_12
ORD IDord-2cfbe9e060754dbc92bbd308d2e35596
Source noteuspto-grants-2013_12