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HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 421766Erstellt: 25. Oktober 2026

4-(Trifluoromethyl)aniline → 4-chloro-3-[(8aR)-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylcarbonyl]-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

https://huagongshe.com/reaction/421766

Reaktionsgleichung

Beteiligte Stoffe

RolleNameHCIDEinwaage
Edukt4-(Trifluoromethyl)anilineHCID 9964—
EduktSodium CarbonateHCID 10340—
Edukt(8aR)-Octahydropyrrolo(1,2-a)pyrazineHCID 7004239—
Edukt2-Chloro-5-(chlorosulfonyl)benzoyl chlorideHCID 54550199—
LösungsmittelMethanolHCID 887—
LösungsmittelDichloromethaneHCID 6344—
Produkt4-chloro-3-[(8aR)-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylcarbonyl]-N-[4-(trifluoromethyl)phenyl]benzenesulfonamideHCID 46851655—

Reaktionsschritte

To crude 2-chloro-5-(chlorosulfonyl)benzoyl chloride (2 mmol) in anhydrous dichloromethane (50 mL) was added (R)-octahydropyrrolo[1,2-a]pyrazine (0.252 g, 2 mmol) in dichloromethane (4 mL) slowly over 10 minutes at room temperature. Then sodium carbonate (0.46 g, 4.4 mmol) was added. The mixture was stirred at room temperature overnight. Then dichloromethane was removed by concentration, and 4-(trifluoromethyl)aniline (3.22 g, 20 mmol) was added. The mixture was stirred at 70° C. overnight. Then sodium carbonate (0.21 g, 2 mmol) and methanol (5 mL) were added at room temperature. The mixture was stirred for 30 minutes, then filtered, and concentrated. The residue was purified by chromatography on silica gel (ethyl acetate, then methanol/ethyl acetate=1:10) to give the titled compound: 1H NMR (500 MHz, DMSO-d6) δ ppm 1.30 (m, 1H), 1.55 (m, 1H), 1.70-2.00 (m, 4H), 2.60 (m, 2H), 2.80-3.50 (m, 4H), 4.40-4.60 (m, 1H), 7.30 (m, 2H), 7.62 (m, 2H), 7.82 (m, 3H), 11.00 (br s, 1H); MS (ESI) m/z 488 (M+H)+.

Herkunft & Nachweise

DOI10.6084/m9.figshare.5104873.v1
PatentnummerUS08101614B2
Quelldatensatzuspto-grants-2012_01
ORD IDord-bde3eae8bb844b0eb7e03af950d5186c
Quellennotizuspto-grants-2012_01