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Acetophenone → 7-Chloro-4-methyl-2-phenylquinoline

HRID 1028819
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 1028819
[C:1]([C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1)(=O)[CH3:2].[NH2:10][C:11]1[CH:16]=[C:15]([Cl:17])[CH:14]=[CH:13][C:12]=1[C:18](=O)[CH3:19].C(=O)([O-])[O-]>C(Cl)Cl>[Cl:17][C:15]1[CH:16]=[C:11]2[C:12]([C:18]([CH3:19])=[CH:2][C:1]([C:4]3[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=3)=[N:10]2)=[CH:13][CH:14]=1
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

5

Edukt 3

HCID 7410AcetophenoneHCID 19660Carbonate IonHCID 135747171-(2-Amino-4-chlorophenyl)ethanone

Produkt 1

HCID 576810187-Chloro-4-methyl-2-phenylquinoline

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 6344DichloromethaneLösungsmittel

Reaktionsbedingungen

Temperatur
100 °C

Versuchsvorschrift

Acetophenone (0.66 mL, 5.69 mmol) was added to 1-(2-amino-4-chlorophenyl)ethanone (0.868 g, 5.69 mmol) and [Hbim]BF4 (1.50 g, 7.08 mmol) under Ar. The reaction mixture was heated at 100° C. for 57 h then cooled to rt and partitioned between EtOAc and H2O. The aq layer was extracted with EtOAc. The combined organics were dried (Na2SO4) and concentrated under reduced pressure. Purification by flash chromatography on SiO2 (70 g, EtOAc in hexanes 0:100→1:40→1:30) afforded a lightly colored oil. The material was dissolved in DCM (100 mL) and stirred with PS-Ts-NHNH2 (2.07 g, 2.87 mmol/g, 5.94 mmol) for 2.5 d at rt and then with MP-carbonate (˜0.25 g, 2.74 mmol/g, 0.68 mmol) for 4 h. The resins were removed by filtration through Celite. The residue and Celite were rinsed with DCM multiple times. The filtrate was concentrated under reduced pressure to provide the title compound as a light yellow oil; 1H NMR (400 MHz, CDCl3) δ 8.18-8.12 (m, 3H), 7.92 (d, J=8.4 Hz, 1H), 7.71 (d, J=0.8 Hz, 1H), 7.54-7.46 (m, 4H), 2.75 (s, 3H); MS (ES+): m/z 254.24 (35) [MH+]; HPLC: tR=3.82 min (OpenLynx, nonpolar—5 min).

Aufarbeitung

  1. temperaturethen cooled to rt
  2. custompartitioned between EtOAc and H2O
  3. extractionThe aq layer was extracted with EtOAc
  4. dry with materialThe combined organics were dried (Na2SO4)
  5. concentrationconcentrated under reduced pressure
  6. customPurification by flash chromatography on SiO2 (70 g, EtOAc in hexanes 0:100→1:40→1:30)
  7. customafforded a lightly colored oil
  8. customThe resins were removed by filtration through Celite
  9. washThe residue and Celite were rinsed with DCM multiple times
  10. concentrationThe filtrate was concentrated under reduced pressure

Quellen und Nachweise

ORD-Eintrag
ord-cef72b436d0f477e8d527335c8005a50
Quelldatensatz
uspto-grants-2014_05
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US08735405B2

Notizen zur Reaktion

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