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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1911437Generated: November 3, 2026

Acetic Acid → ethyl 4-((3R,5S)-3,4,5-trimethylpiperazin-1-yl)benzoate

https://huagongshe.com/reaction/1911437

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcetic AcidHCID 176—
ReactantSodium triacetoxyborohydrideHCID 5049666—
ReactantEthyl 4-((3S,5R)-3,5-dimethylpiperazin-1-yl)benzoateHCID 23381002—
SolventMethanolHCID 887—
Productethyl 4-((3R,5S)-3,4,5-trimethylpiperazin-1-yl)benzoateHCID 5744041670.9%

Reaction Steps

Sodium triacetoxyborohydride (5.30 g, 25.00 mmol) was added to ethyl 4-((3R,5S)-3,5-dimethylpiperazin-1-yl)benzoate (2.62 g, 10 mmol), and acetic acid (1.145 mL, 20.00 mmol) in methanol (15 mL) at 25° C. The resulting solution was stirred at ambient temperature for 18 h. The reaction mixture was quenched with saturated NaHCO3 (15 mL) to pH7 and the crude product was purified by ion exchange chromatography, using a SCX column. The desired product was eluted from the column using 7M NH3/MeOH and evaporated to dryness to afford an oil. 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-((3R,5S)-3,4,5-trimethylpiperazin-1-yl)benzoate (1.960 g, 70.9%) as a yellow oil. MS: m/z 277 (MH+).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08604022B2
Source datasetuspto-grants-2013_12
ORD IDord-14129e90488a4eb3a445f084229fe3e7
Source noteuspto-grants-2013_12