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HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 422045Erstellt: 25. Oktober 2026

3-Methyl-2-nitrobenzoic acid → (1Z)-3-imino-3-(3-methyl-4-nitrophenyl)-1-[2-(propyloxy)phenyl]prop-1-en-1-amine

https://huagongshe.com/reaction/422045

Reaktionsgleichung

Beteiligte Stoffe

RolleNameHCIDEinwaage
Edukt3-Methyl-2-nitrobenzoic acidHCID 21575—
Edukt1,1'-CarbonyldiimidazoleHCID 68263—
Edukt1-[2-(Propyloxy)phenyl]ethanone lithium saltHCID 57445448—
Edukt1-[(3-methyl-4-nitrophenyl)carbonyl]-1H-imidazoleHCID 57445449—
LösungsmittelTetrahydrofuranHCID 8028—
Produkt(1Z)-3-imino-3-(3-methyl-4-nitrophenyl)-1-[2-(propyloxy)phenyl]prop-1-en-1-amineHCID 8663365646%

Reaktionsschritte

A solution of 1,1,1-trimethyl-N-(trimethylsilyl)silanamine (2.70 g, 16.8 mmol) in dry tetrahydrofuran (40 mL) was cooled to −78° C., at which time was added n-butyllithium 1.6 N (10.5 mL, 16.8 mmol) followed by commercially available acetophenone (5.50 g, 31 mmol). The reaction mixture was stirred for 1 h at −78° C. to give the 1-[2-(propyloxy)phenyl]ethanone lithium salt. Concurrent with the above was prepared a solution of 1-[(3-methyl-4-nitrophenyl)carbonyl]-1H-imidazole by adding 1,1′-carbonylbis(1H-imidazole) (2.70 g, 16.8 mmol) to 3-methyl-2-nitrobenzoic acid (2.50 g, 14.0 mmol) in tetrahydrofuran (40 mL) at room temperature. To the 1-[2-(propyloxy)phenyl]ethanone lithium salt solution was slowly added the 1-[(3-methyl-4-nitrophenyl)carbonyl]-1H-imidazole solution at −78° C. and the mixture was allowed to warm to room temperature. The reaction mixture was quenched with hydrochloric acid 1.0 N (100 mL) and the product was extracted with ethyl acetate (150 mL). The organic phase was washed with brine (80 mL), dried over anhydrous sodium sulfate, filtered and concentrated in vacuo. The residue was purified by flash chomatography (SiO2, ethyl acetate/hexanes 1:2), followed by re-crystallization from diethyl ether and hexanes (1:5) to afford (1Z)-3-imino-3-(3-methyl-4-nitrophenyl)-1-[2-(propyloxy)phenyl]prop-1-en-1-amine (2.20 g, 46%).

Herkunft & Nachweise

DOI10.6084/m9.figshare.5104873.v1
PatentnummerUS08101625B2
Quelldatensatzuspto-grants-2012_01
ORD IDord-c7136c1339e7475783f0c97485affc18
Quellennotizuspto-grants-2012_01