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HRID 1676459Erstellt: 25. Oktober 2026

Cyanogen Bromide → [6-(5-Amino-[1,3,4]oxadiazol-2-yl)-4-fluoro-1H-benzoimidazol-5-yl]-(4-bromo-2-methyl-phenyl)-amine

https://huagongshe.com/reaction/1676459

Reaktionsgleichung

Beteiligte Stoffe

RolleNameHCIDEinwaage
EduktCyanogen BromideHCID 10476—
EduktSodium BicarbonateHCID 516892—
Edukt6-(4-Bromo-2-methyl-phenylamino)-7-fluoro-3H-benzoimidazole-5-carboxylic acid hydrazideHCID 66897920—
LösungsmittelWaterHCID 962—
LösungsmittelDichloromethaneHCID 6344—
Lösungsmittel1,4-DioxaneHCID 31275—
LösungsmittelSodium chloride; waterHCID 57417360—
Produkt[6-(5-Amino-[1,3,4]oxadiazol-2-yl)-4-fluoro-1H-benzoimidazol-5-yl]-(4-bromo-2-methyl-phenyl)-amineHCID 1015082055%

Reaktionsschritte

6-(4-Bromo-2-methyl-phenylamino)-7-fluoro-3H-benzoimidazole-5-carboxylic acid hydrazide 20a (0.041 g, 0.109 mmol) is suspended in 1,4-dioxane (1.5 mL) and 36 μL of a 3 M solution of cyanogen bromide in methylene chloride is added. NaHCO3 (9 mg, 0.109 mmol) in water (1.5 mL) is then added. After 16 hours, the reaction mixture is diluted with water and brine and extracted with THF. The combined organic extracts are dried (Na2SO4) and concentrated under reduced pressure. Purification by FCC eluted with 98:2 ethyl acetate:MeOH provides 24 mg (55%) of pure desired product as a yellow solid: LC/MS ESI (+) m/z 403, 405 (M+ Br pattern) detected; 1H-NMR (400 MHz, DMSO-d6) δ 12.97 (s, 1H), 8.42 (s, 1H), 7.94 (s, 1H), 7.74 (s, 1H), 7.36 (s, 2H), 7.33 (d, 1H), 7.15 (d, 1H), 6.40 (bs, 1H), 2.34 (s, 3H).

Herkunft & Nachweise

DOI10.6084/m9.figshare.5104873.v1
PatentnummerUS08003805B2
Quelldatensatzuspto-grants-2011_08
ORD IDord-53cb8d6d9e3b4bbaa64fa80c64f8d359
Quellennotizuspto-grants-2011_08