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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 883777Generated: October 26, 2026

4-Nitrobenzaldehyde → 1,1-Dimethylethyl (2S)-2-methyl-4-[(4-nitrophenyl)methyl]-1-piperazinecarboxylate

https://huagongshe.com/reaction/883777

Reaction equation

Participants

RoleNameHCIDCharge
Reactant4-NitrobenzaldehydeHCID 541—
ReactantTriethylamineHCID 8471—
ReactantSodium BicarbonateHCID 516892—
ReactantSodium triacetoxyborohydrideHCID 5049666—
Reactant(S)-tert-butyl 2-methylpiperazine-1-carboxylate hydrochlorideHCID 45072182—
Solvent1,2-DichloroethaneHCID 11—
Product1,1-Dimethylethyl (2S)-2-methyl-4-[(4-nitrophenyl)methyl]-1-piperazinecarboxylateHCID 59262204—

Reaction Steps

A mixture of 4-nitrobenzaldehyde (15.1 g, 0.1 mol), 1,1-dimethylethyl (2S)-2-methyl-1-piperazinecarboxylate hydrochloride (21.3 g, 0.09 mol), triethylamine (15 ml, 0.108 mol) and sodium tri(acetoxy)borohydride (42.4 g, 0.2 mol) in 1,2-DCE (500 ml) was stirred at room temperature overnight. Saturated aqueous NaHCO3 solution (200 ml) was added and the mixture stirred for 20-30 minutes. The phases were separated and the aqueous phase was washed with DCM. The combined organics were washed with brine, dried and concentrated. Column chromatography eluting with 0-20% EtOAc/hexane gave the title compound as a yellow oil which crystallized on standing (25.61 g). δH (CDCl3, 400 MHz) 8.19 (2H, d), 7.53 (2H, d), 4.21 (1H, br.s), 3.83 (1H, d), 3.62 (1H, d), 3.50 (1H, d), 3.13 (1H, td), 2.74 (1H, m), 2.54 (1H, m), 2.20 (1H, dd), 2.08 (1H, m), 1.46 (9H, s), 1.25 (3H, d).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08236953B2
Source datasetuspto-grants-2012_08
ORD IDord-27165ce303824fdc8ef37880e890a587
Source noteuspto-grants-2012_08