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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1990909Generated: October 25, 2026

Acetic Acid → Tert-butyl 4-[(3-chlorophenyl)methyl]piperazine-1-carboxylate

https://huagongshe.com/reaction/1990909

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcetic AcidHCID 176—
Reactant3-ChlorobenzaldehydeHCID 11477—
ReactantSodium HydroxideHCID 14798—
Reactanttert-Butyl piperazine-1-carboxylateHCID 143452—
ReactantSodium triacetoxyborohydrideHCID 5049666—
Solvent1,1-DichloroethaneHCID 6365—
SolventEthyl AcetateHCID 8857—
ProductTert-butyl 4-[(3-chlorophenyl)methyl]piperazine-1-carboxylateHCID 431694087.4%

Reaction Steps

To a solution of piperazine-1-carboxylic acid tert-butyl ester (4.00 g, 21.5 mmol) in dry dichloroethane (70 mL) are added 3-chlorobenzaldehyde (2.49 mL, 3.08 g, 21.9 mmol), HOAc (2.58 mL, 2.71 g, 45.1 mmol) and NaBH(OAc)3 (5.46 g, 25.8 mmol) at ambient temperature. After stirring at ambient temperature for 3d, 2N NaOH (40 mL) is added, the layers are separated, and the aqueous layer is extracted with CH2Cl2 (4×50 mL). The combined organic extracts are washed with water (3×50 mL) and brine (80 mL) and dried over MgSO4. The crude material is purified by chromatography on silica gel, eluting with hexane:EtOAc mixtures, yielding 5.83 g (18.8 mmol, 87%) of the title compound as yellow oil. MS (ES): m/z 311.0/313.0 (50/18) [MH+]. tR (method A)=5.0 min.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07645754B2
Source datasetuspto-grants-2010_01
ORD IDord-994156a864ae422b9ebe21fde113ac5d
Source noteuspto-grants-2010_01