Reaktionsgleichung
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([OH:8])=[CH:4][C:3]=1[F:9].CC(C)([O-])C.[K+].Cl[C:17]1[CH:22]=[CH:21][N:20]=[C:19]([CH3:23])[CH:18]=1>CC(N(C)C)=O>[F:9][C:3]1[CH:4]=[C:5]([O:8][C:17]2[CH:22]=[CH:21][N:20]=[C:19]([CH3:23])[CH:18]=2)[CH:6]=[CH:7][C:2]=1[NH2:1]Komponenten
Edukt 3
Produkt 1
Reagenzien, Katalysatoren, Lösungsmittel 1
Versuchsvorschrift
A solution of 4-amino-3-fluorophenol (5.00 g, 39.3 mmol) in anhydrous DMA (100 mL) was treated with potassium tert-butoxide (5.30 g, 47.2 mmol), and the red-brown mixture was stirred at room temperature for 1 h. The mixture was treated with a solution of 4-chloro-2-picoline (5.02 g, 39.3 mmol) in anhydrous DMA (75 mL) and then heated at 100° C. for 17 h. The mixture was cooled to ambient temperature and partitioned between EtOAc (500 mL) and saturated NaCl solution (500 mL). The aqueous phase was back-extracted with EtOAc (300 mL). The combined organic phases were washed with brine, dried over Na2SO4, and concentrated at reduced pressure. Purification through a silica gel plug, eluting with 40% EtOAc/hexane, followed by crystallization from DCM/hexane afforded 4.06 g (47%) of the title compound as a yellow solid. 1H-NMR (DMSO-d6) δ 8.24 (d, J=5.4 Hz, 1H), 6.91 (dd, J=12.3, 2.7 Hz, 1H), 6.80 (dd, J=9.6, 8.7 Hz, 1H), 6.72 to 6.62 (m, 3H), 5.15 (broad s, 2H), (2.36 (s, 3H); MS LC-MS [M+H]+=219, RT=0.24 min.
Aufarbeitung
- temperatureheated at 100° C. for 17 h
- temperatureThe mixture was cooled to ambient temperature
- custompartitioned between EtOAc (500 mL) and saturated NaCl solution (500 mL)
- extractionThe aqueous phase was back-extracted with EtOAc (300 mL)
- washThe combined organic phases were washed with brine
- dry with materialdried over Na2SO4
- concentrationconcentrated at reduced pressure
- customPurification through a silica gel plug
- washeluting with 40% EtOAc/hexane
- customfollowed by crystallization from DCM/hexane
Quellen und Nachweise
- ORD-Eintrag
- ord-38e4b247f59b4dbdbab866525d5b44ae
- Quelldatensatz
- uspto-grants-2012_06
- Patentnummer
- US08207166B2
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