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2-Chloro-4-cyanobenzene-1-sulfonyl chloride → 2-Chloro-N-[1-(3-chloro-5'-fluoro-2'-methoxy-biphenyl-4-yl)-ethyl]-4-cyano-benzenesulfonamide

HRID 2422877
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Reaktionsgleichung

Reaktionsgleichung von HRID 2422877
FC1C=CC(OC)=C(C2C=CC(CNS(C3C=CC(OC)=CC=3)(=O)=O)=CC=2OC)C=1.[Cl:31][C:32]1[CH:33]=[C:34]([C:41]2[CH:46]=[C:45]([F:47])[CH:44]=[CH:43][C:42]=2[O:48][CH3:49])[CH:35]=[CH:36][C:37]=1[CH:38]([NH2:40])[CH3:39].[Cl:50][C:51]1[CH:56]=[C:55]([C:57]#[N:58])[CH:54]=[CH:53][C:52]=1[S:59](Cl)(=[O:61])=[O:60]>>[Cl:50][C:51]1[CH:56]=[C:55]([C:57]#[N:58])[CH:54]=[CH:53][C:52]=1[S:59]([NH:40][CH:38]([C:37]1[CH:36]=[CH:35][C:34]([C:41]2[CH:46]=[C:45]([F:47])[CH:44]=[CH:43][C:42]=2[O:48][CH3:49])=[CH:33][C:32]=1[Cl:31])[CH3:39])(=[O:60])=[O:61]
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Komponenten

4

Edukt 3

HCID 27357222-Chloro-4-cyanobenzene-1-sulfonyl chlorideHCID 24768914HCID 24768914, VerbindungHCID 67246860HCID 67246860, Verbindung

Produkt 1

HCID 672455092-Chloro-N-[1-(3-chloro-5'-fluoro-2'-methoxy-biphenyl-4-yl)-ethyl]-4-cyano-benzenesulfonamide

Versuchsvorschrift

To a stirred solution of 4-bromo-2-chloro-acetophenone (4.66 g, 20 mmol) in methanol (50 ml) under nitrogen atmosphere was added ammonium acetate (29 g, 0.4 mol) and sodium cyanoborohydride (1.21 g, 20 mmol). The reaction mixture was stirred at ambient temperature for 10 days. The solvent was evaporated and the residue partitioned between dichloromethane and aqueous sodium carbonate solution. The organic phase was dried over anhydrous sodium sulfate and the solvent evaporated. The residue was dissolved in diethyl ether and treated with 2M Hydrogen chloride in diethyl ether The resulting precipitate was filtered and dried to give 1-(4-bromo-2-chloro-phenyl)-ethylamine hydrochloride (3.2 g). A mixture of 1-(4-bromo-2-chloro-phenyl)-ethylamine hydrochloride (0.25 g, 1.07 mmol), 5-fluoro-2-methoxyphenyl boronic acid (0.364 g, 2.14 mmol), palladium acetate (0.005 g, 0.021 mmol) in water (4 ml) was heated in a microwave oven at 190° C. for 4 min. The mixture was added to a SCX column (eluted with 1:1 dichloromethane/methanol then 10% 7M ammonia/methanol) and solvent evaporated to give 1-(3-chloro-5′-fluro-2′-methoxy-biphenyl-4-yl)-ethylamine (0.266 g). The title compound was prepared in a similar manner to N-(5′-fluoro-2,2′-dimethoxy-biphenyl-4-ylmethyl)-4-methoxy-benzenesulfonamide (Example 6) using 1-(3-chloro-5′-fluoro-2′-methoxy-biphenyl-4-yl)-ethylamine and 2-chloro-4-cyanobenzene sulfonyl chloride instead of 4-methoxybenzene sulfonyl chloride: 1H NMR (400 MHz, DMSO-d6): δ 9.1 (d 1H), 8.1 (s, 1H), 7.9 (d, 1H), 7.8 (d, 1H), 7.5 (d, 1H), 7.3 (d, 2H), 7.2 (m, 1H), 7-7.18 (m, 2H), 4.9 (m, 1H), 3.8 (s, 3H), 1.4 (d, 3H) ppm. MS (ESI) m/z: value [M+H]+.

Quellen und Nachweise

ORD-Eintrag
ord-d29fba1cd5c34f63bbad8b0c837bfc4a
Quelldatensatz
uspto-grants-2011_06
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US07960365B2

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