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HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 2428034Erstellt: 25. Oktober 2026

Sodium Azide → 1-Fluoro-2-isocyanato-4-methoxybenzene

https://huagongshe.com/reaction/2428034

Reaktionsgleichung

Beteiligte Stoffe

RolleNameHCIDEinwaage
EduktSodium AzideHCID 33557—
EduktOxalyl chlorideHCID 65578—
Edukt2-Fluoro-5-methoxybenzoic acidHCID 2774543—
EduktHCID 57474799HCID 57474799—
LösungsmittelDimethylformamideHCID 6228—
LösungsmittelDichloromethaneHCID 6344—
Lösungsmittel1,4-Dioxane--water (1/1)HCID 21886435—
Produkt1-Fluoro-2-isocyanato-4-methoxybenzeneHCID 22150993—

Reaktionsschritte

(Z)-1-(2-Amino-1,2-dicyanovinyl)-3-(2-fluoro-5-methoxyphenyl)urea. 2-Fluoro-5-methoxybenzoic acid (0.62 g, 3.62 mmol) was dissolved in CH2Cl2 (15 mL) and DMF (0.5 mL). Oxalyl chloride (0.38 mL, 4.32 mmol) was added dropwise. The mixture was stirred for another 15 min. The reaction was concentrated and then taken up in dioxane (10 mL). Sodium azide (0.26 g, 3.96 mmol) in water/dioxane (1:1 v/v, 10 mL) was added to the acid chloride at 0° C. The mixture was stirred for 10 min. The reaction was partitioned between EtOAc and water. The layers were shaken and separated. The organic layer was dried over sodium sulfate, filtered, and concentrated. The crude acyl azide was filtered through a silica gel plug (90% Hexanes in EtOAc. The filtrate was concentrated. The purified acyl azide was dissolved in toluene and stirred at 100° C. for 1 h. The toluene solution was concentrated to afford 1-fluoro-2-isocyanato-4-methoxybenzene in quantitative yield. 1-Fluoro-2-isocyanato-4-methoxybenzene (0.6 g, 3.62 mmol) was reacted with 2,3-diaminomaleonitrile (0.39 g, 3.62 mmol) according to General Procedure A to afford the title compound. MS (ESI) m/z 276.4 [M+1]+.

Herkunft & Nachweise

DOI10.6084/m9.figshare.5104873.v1
PatentnummerUS07968556B2
Quelldatensatzuspto-grants-2011_06
ORD IDord-7cf7958bb9a04a3da68198bc2ae11b0a
Quellennotizuspto-grants-2011_06