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Morpholine → (S)-4-(2-oxo-3-(7-(trifluoromethyl)-3,4-dihydroisoquinolin-2(1H)-yl)pyrrolidin-1-yl)-N-(thiazol-2-yl)benzenesulfonamide

HRID 420797
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 420797
FC1C=CC(S([N:11]([S:17]([C:20]2[CH:25]=[CH:24][C:23]([N:26]3[CH2:30][CH2:29][C@@H:28](O)[C:27]3=[O:32])=[CH:22][CH:21]=2)(=[O:19])=[O:18])[C:12]2[S:13][CH:14]=[CH:15][N:16]=2)(=O)=O)=CC=1.CCN(C(C)C)C(C)C.S(OS(C(F)(F)F)(=O)=O)(C(F)(F)F)(=O)=O.[F:57][C:58]([F:70])([F:69])[C:59]1[CH:68]=[C:67]2[C:62]([CH2:63][CH2:64][NH:65][CH2:66]2)=[CH:61][CH:60]=1.N1CCOCC1>C(Cl)Cl>[O:32]=[C:27]1[C@@H:28]([N:65]2[CH2:64][CH2:63][C:62]3[C:67](=[CH:68][C:59]([C:58]([F:57])([F:70])[F:69])=[CH:60][CH:61]=3)[CH2:66]2)[CH2:29][CH2:30][N:26]1[C:23]1[CH:24]=[CH:25][C:20]([S:17]([NH:11][C:12]2[S:13][CH:14]=[CH:15][N:16]=2)(=[O:19])=[O:18])=[CH:21][CH:22]=1
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

7

Edukt 5

HCID 8083MorpholineHCID 67749Trifluoromethanesulfonic anhydrideHCID 81531DiisopropylethylamineHCID 103755517-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinolineHCID 59593431(R)-4-fluoro-N-(4-(3-hydroxy-2-oxopyrrolidin-1-yl)phenylsulfonyl)-N-(thiazol-2-yl)benzenesulfonamide

Produkt 1

HCID 42602362
(S)-4-(2-oxo-3-(7-(trifluoromethyl)-3,4-dihydroisoquinolin-2(1H)-yl)pyrrolidin-1-yl)-N-(thiazol-2-yl)benzenesulfonamide

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 6344DichloromethaneLösungsmittel3×

Reaktionsbedingungen

Temperatur
-25 °C

Versuchsvorschrift

A solution of (R)-4-fluoro-N-(4-(3-hydroxy-2-oxopyrrolidin-1-yl)phenylsulfonyl)-N-(thiazol-2-yl)benzenesulfonamide (12.4 g, 24.9 mmol) in DCM (80 mL) was stirred under nitrogen at −25° C. To the reaction mixture was added DIEA (9.6 g, 13 mL, 74.6 mmol) followed by dropwise addition of triflic anhydride (10.5 g, 6.30 mL, 37.3 mmol). The reaction mixture was stirred at −25° C. for 90 minutes. A solution of 7-trifluoromethyl-tetrahydroisoquinoline (5.0 g, 24.9 mmol) in DCM (10 mL) was added to the reaction mixture and stirring was continued under nitrogen at −25° C. for 1 h. Morpholine (4.33 g, 4.3 mL, 49.7 mmol) was added and the cooling bath was removed. The reaction mixture was stirred at room temperature for 30 minutes, concentrated under reduced pressure and purified by silica gel column chromatography (0.5-10% MeOH in DCM). The product obtained was taken up in DCM and precipitated by addition of Et2O providing a white solid (5.25 g, 40%), which was collected by filtration. 1H NMR (400 MHz, DMSO-d6) δ: 12.0 (s, 1H), 7.84 (dd, J=9.0, 22.8 Hz, 4H), 7.46 (bs, 2H), 7.32-7.30 (m, 1H), 7.26 (d, J=4.6 Hz, 1H), 6.83 (d, J=4.6 Hz, 1H), 4.12 (d, J=15.3 Hz, 1H), 3.92-3.78 (m, 4H), 3.15-3.10 (m, 1H), 2.90-2.83 (m, 3H), 2.34-2.27 (m, 1H) and 2.19-2.10 (m, 1H). LC/MS (10%-99% CH3CN (0.035% TFA)/H2O (0.05% TFA)), m/z: M+1 obs=523.3; tR=1.18 minMS (ESI) m/e (M+H+) 523.3, retention time: 1.18 min (10-99% CH3CN in H2O).

Aufarbeitung

  1. stirringstirring
  2. waitwas continued under nitrogen at −25° C. for 1 h
  3. customthe cooling bath was removed
  4. stirringThe reaction mixture was stirred at room temperature for 30 minutes
  5. concentrationconcentrated under reduced pressure
  6. custompurified by silica gel column chromatography (0.5-10% MeOH in DCM)
  7. customThe product obtained
  8. customprecipitated by addition of Et2O providing a white solid (5.25 g, 40%), which
  9. filtrationwas collected by filtration

Quellen und Nachweise

ORD-Eintrag
ord-0af46116ae504f8496c7959544b6eb49
Quelldatensatz
uspto-grants-2012_01
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US08097636B2

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