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HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 2064931Erstellt: 25. Oktober 2026

Nitrogen → 1-[4-(2-Methyl-[1,3]dioxolan-2-yl)-butyl]-4-nitro-1H-pyrazole

https://huagongshe.com/reaction/2064931

Reaktionsgleichung

Beteiligte Stoffe

RolleNameHCIDEinwaage
EduktNitrogenHCID 947—
EduktCesium carbonateHCID 10796—
Edukt4-nitro-1H-pyrazoleHCID 16376—
Edukt2-(4-Bromobutyl)-2-methyl-1,3-dioxolaneHCID 560013—
LösungsmittelWaterHCID 962—
LösungsmittelEthyl AcetateHCID 8857—
Lösungsmittel2-OxopropiononitrileHCID 69430—
Produkt1-[4-(2-Methyl-[1,3]dioxolan-2-yl)-butyl]-4-nitro-1H-pyrazoleHCID 66928692—

Reaktionsbedingungen

Temperatur80 °C

Reaktionsschritte

In a flame dried round-bottomed flask equipped with a magnetic stir bar and under inert atmosphere (N2), a solution of 4-nitro-1H-pyrazole (2.10 g, 18.68 mmol) and Cs2CO3 (6.67 g, 20.46 mmol) in AcCN (18.9 mL) was treated with a solution of 2-(4-bromo-butyl)-2-methyl-[1,3]dioxolane (4.15 g, 18.60 mmol) in AcCN (18.9 mL). The reaction mixture was stirred at 80° C. for 2 h. Water (100 mL) was added followed by EA (100 mL). The aq. layer was extracted with EA (200 mL) and the combined org. extracts were dried over MgSO4, filtered, and the solvents were removed under reduced pressure. Purification of the residue by FC (50:50 hept-EA) gave the title compound. TLC: rf (50:50 hept-EA)=0.46. LC-MS-conditions 02: tR=0.89 min; [M+H]+=256.36. 1H NMR (400 MHz, CDCl3) δ 1.31 (s, 3H), 1.38-1.53 (m, 2H), 1.65-1.77 (m, 2H), 1.90-2.02 (m, 2H), 3.88-3.94 (m, 2H), 3.94-3.99 (m, 2H), 4.17 (t, J=7.0 Hz, 2H), 8.08 (s, 1H), 8.14 (s, 1H).

Herkunft & Nachweise

DOI10.6084/m9.figshare.5104873.v1
PatentnummerUS08288419B2
Quelldatensatzuspto-grants-2012_10
ORD IDord-267eeb96b66e4e3fa3f7270212cc7061
Quellennotizuspto-grants-2012_10