4-t-Butylbenzenesulfonyl chloride → 8-Iodo-2-(trifluoromethyl)-6-{[4-(trifluoromethyl)phenyl]sulfonyl}-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepine

HRID 1691437노트

반응식

HRID 1691437 반응식
BrC1C=CC2NC3N=C(C(F)(F)F)C=CC=3CN(S(C3C=CC(C(C)(C)C)=CC=3)(=O)=O)C=2C=1.[I:34][C:35]1[CH:36]=[CH:37][C:38]2[NH:44][C:43]3[N:45]=[C:46]([C:49]([F:52])([F:51])[F:50])[CH:47]=[CH:48][C:42]=3[CH2:41][NH:40][C:39]=2[CH:53]=1.[F:54][C:55]([F:67])([F:66])[C:56]1[CH:61]=[CH:60][C:59]([S:62](Cl)(=[O:64])=[O:63])=[CH:58][CH:57]=1.BrC1C=CC2NC3N=C(C(F)(F)F)C=CC=3CNC=2C=1.C(C1C=CC(S(Cl)(=O)=O)=CC=1)(C)(C)C>>[I:34][C:35]1[CH:36]=[CH:37][C:38]2[NH:44][C:43]3[N:45]=[C:46]([C:49]([F:52])([F:50])[F:51])[CH:47]=[CH:48][C:42]=3[CH2:41][N:40]([S:62]([C:59]3[CH:58]=[CH:57][C:56]([C:55]([F:54])([F:66])[F:67])=[CH:61][CH:60]=3)(=[O:64])=[O:63])[C:39]=2[CH:53]=1

참가 물질

6

반응물 5

HCID 1398824-t-Butylbenzenesulfonyl chlorideHCID 27773994-(Trifluoromethyl)benzenesulfonyl chlorideHCID 596186368-bromo-6-[(4-tert-butylphenyl)sulfonyl]-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepineHCID 669015968-iodo-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepine2회HCID 669016538-bromo-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepine

생성물 1

HCID 866490418-Iodo-2-(trifluoromethyl)-6-{[4-(trifluoromethyl)phenyl]sulfonyl}-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepine

실험 절차

The title compound was prepared following procedure described for intermediate 53 substituting 8-iodo-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepine (intermediate 37) and 4-(trifluoromethyl)benzenesulfonyl chloride for 8-bromo-2-(trifluoromethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepine and [(4-tert-butylphenyl)-sulfonyl chloride. LC/MS: m/e 599.8 (M+H)+. 1H NMR (500 MHz, acetone-d6): δ 8.56 (1H, s), 7.79-7.82 (2H, m), 7.66 (1H, dd, J=8.5, 2.1 Hz), 7.55 (2H, d, J=8.3 Hz), 7.29 (2H, d, J=8.3 Hz), 7.17 (1H, d, J=7.5 Hz), 7.15 (2H, d, J=8.7 Hz), 4.80-5.10 (2H, br).

출처 및 근거

ORD 기록
ord-2936daaa130e4814b710bd7c2b192731
출처 데이터셋
uspto-grants-2012_04
특허 번호
US08153626B2

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