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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 534712Generated: October 26, 2026

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

https://huagongshe.com/reaction/534712

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 pale 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 numberUS08853218B2
Source datasetuspto-grants-2014_10
ORD IDord-ac62cd0f85cf411b9c82f640bc0fb106
Source noteuspto-grants-2014_10