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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
Notes
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Reaction equation

HRID 2422877 reaction equation
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]
ParticipantsProcedureSources & evidenceReaction notes

Participants

4

Reactant 3

HCID 27357222-Chloro-4-cyanobenzene-1-sulfonyl chlorideHCID 24768914HCID 24768914, compoundHCID 67246860HCID 67246860, compound

Product 1

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

Procedure

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]+.

Sources & evidence

ORD record
ord-d29fba1cd5c34f63bbad8b0c837bfc4a
Source dataset
uspto-grants-2011_06
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07960365B2

Reaction notes

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