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
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | 4-Nitrobenzaldehyde | HCID 541 | — |
| Reactant | Triethylamine | HCID 8471 | — |
| Reactant | Sodium Bicarbonate | HCID 516892 | — |
| Reactant | Sodium triacetoxyborohydride | HCID 5049666 | — |
| Reactant | (S)-tert-butyl 2-methylpiperazine-1-carboxylate hydrochloride | HCID 45072182 | — |
| Solvent | 1,2-Dichloroethane | HCID 11 | — |
| Product | 1,1-Dimethylethyl (2S)-2-methyl-4-[(4-nitrophenyl)methyl]-1-piperazinecarboxylate | HCID 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
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| Patent number | US08236953B2 |
|---|
| Source dataset | uspto-grants-2012_08 |
|---|
| ORD ID | ord-27165ce303824fdc8ef37880e890a587 |
|---|
| Source note | uspto-grants-2012_08 |
|---|