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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2425996Generated: October 28, 2026

Diisopropylethylamine → Tert-butyl 4-(3-(2-methyl-1-phenylpropylamino)-4-nitrophenyl)piperazine-1-carboxylate

https://huagongshe.com/reaction/2425996

Reaction equation

Participants

RoleNameHCIDCharge
ReactantDiisopropylethylamineHCID 81531—
Reactanttert-Butyl piperazine-1-carboxylateHCID 143452—
Reactant5-Fluoro-n-(2-methyl-1-phenylpropyl)-2-nitrobenzenamineHCID 58707251—
SolventAcetonitrileHCID 6342—
ProductTert-butyl 4-(3-(2-methyl-1-phenylpropylamino)-4-nitrophenyl)piperazine-1-carboxylateHCID 5870725386.9%

Reaction Steps

A solution of 5-fluoro-N-(2-methyl-1-phenylpropyl)-2-nitrobenzenamine (1.79 g, 6.2 mmol), N-Boc-piperazine (1.16 g, 6.2 mmol) and N,N-diisopropylethylamine (2.2 mL, 12.4 mmol) in acetonitrile was stirred at reflux for 24 h. The reaction mixture was cooled down and concentrated under reduced pressure. The residue was taken up in dichloromethane, washed with water, dried and concentrated in vacuo to yield 2.45 g of the crude aniline. The crude product was purified by PTLC (15% ethyl acetate in hexanes) to yield 1.75 g (62%) of tert-butyl 4-(3-(2-methyl-1-phenylpropylamino)-4-nitrophenyl)piperazine-1-carboxylate: 1H NMR (400 MHz, CD3OD): δ 9.01 (br d, 1H), 7.96 (dd, 1H), 7.33-7.32 (m, 4H), 7.25-7.24 (m, 1H), 6.27 (br d, 1H), 5.72 (s, 1H), 4.40 (t, 1H), 3.42-3.34 (m, 4H), 3.27-3.23 (m, 2H), 3.16-3.11 (m, 2H), 2.13 (m, 1H), 1.07 (d, 3H), 0.96 (d, 3H). MS (ESI) m/z: Calculated: 454.26; Observed: 477.3 (M++Na).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07968538B2
Source datasetuspto-grants-2011_06
ORD IDord-331f62983f234356ad622e1240ce46b1
Source noteuspto-grants-2011_06