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Ammonia → 6-Methyl-3-(1-naphthalenyl)-1-isoquinolineamine

HRID 2165878
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Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 2165878
C(=O)=O.CC(C)=O.N.[K].[CH3:10][C:11]1[CH:18]=[C:17]([CH3:19])[CH:16]=[CH:15][C:12]=1[C:13]#[N:14].[C:20]([C:22]1[C:31]2[C:26](=[CH:27][CH:28]=[CH:29][CH:30]=2)[CH:25]=[CH:24][CH:23]=1)#[N:21]>C1COCC1.O.O.O.O.O.O.O.O.O.[N+]([O-])([O-])=O.[Fe+3].[N+]([O-])([O-])=O.[N+]([O-])([O-])=O>[CH3:19][C:17]1[CH:18]=[C:11]2[C:12](=[CH:15][CH:16]=1)[C:13]([NH2:14])=[N:21][C:20]([C:22]1[C:31]3[C:26](=[CH:27][CH:28]=[CH:29][CH:30]=3)[CH:25]=[CH:24][CH:23]=1)=[CH:10]2
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

8

Edukt 5

HCID 222Ammonia3×HCID 68461-NaphthalenecarbonitrileHCID 890462,4-DimethylbenzonitrileHCID 5462222PotassiumHCID 18522661Acetone cardice

Produkt 1

HCID 148392386-Methyl-3-(1-naphthalenyl)-1-isoquinolineamineAusbeute 25,1 %

Reagenzien, Katalysatoren, Lösungsmittel 2

HCID 16211566Iron nitrate (Fe(NO3)3) nonahydrateKatalysatorHCID 8028TetrahydrofuranLösungsmittel2×

Versuchsvorschrift

A 250-mL, three-necked, round-bottomed flask equipped with a dry ice-acetone cooled reflux condenser, addition funnel, and a gas inlet was charged with liquid ammonia (175 mL). Iron (III) nitrate nonahydrate (0.23 g, 0.57 mmol) was added to the liquid NH3 in one portion as a solid, and then potassium metal (4.2 g, 107.4 mmol) was added cautiously in small portions. A solution of 2,4-dimethylbenzonitrile (7.0 g, 53.4 mmol) in THF (20 mL) was added to the reaction mixture dropwise over a period of 5 minutes, the reaction was stirred for 15 minutes, a solution of 1-cyanonaphthalene (12.6 g, 79.8 mmol) in THF (30 mL) was then added dropwise over a period of 10 minutes, and the reaction mixture was allowed to stir overnight as the liquid ammonia gradually evaporated. The crude reaction mixture was cautiously poured into excess ice water. The layers were separated, and the aqueous phase was extracted with methylene chloride. The combined organic extracts were dried and concentrated. The residue was purified by flash chromatography with 2:1 hexane-ethyl acetate, and the crude product was recrystallized from 2:1 hexane-ethyl acetate to afford the title compound (3.82 g, 13.4 mmol, 24% yield) as a solid: mp 170°; IR(CHCl3) 3512, 3409 cm-1 ; MS m/e 285(M+ +H); 1H NMR(CDCl3) δ 8.13-8.23(m,1H), 7.80-7.97(m,2H), 7.62-7.78(m,2H), 7.37-7.61(m,1H), 7.27-7.36(m,1H), 7.17-7.26(m,1H), 5.28(s,2H), 2.51(s,3H); HRMS m/e calcd for C20H16N2 (M+) 284.1315, Found 284.1305. Anal. Calcd for C20H16N2 : C,84.48; H,5.67; N,9.85. Found: C,84.39; H,5.63; N,9.57.

Aufarbeitung

  1. temperaturecooled
  2. temperaturereflux
  3. additioncondenser, addition funnel, and a gas inlet
  4. customgradually evaporated
  5. customThe crude reaction mixture
  6. customThe layers were separated
  7. extractionthe aqueous phase was extracted with methylene chloride
  8. customThe combined organic extracts were dried
  9. concentrationconcentrated
  10. customThe residue was purified by flash chromatography with 2:1 hexane-ethyl acetate
  11. customthe crude product was recrystallized from 2:1 hexane-ethyl acetate

Quellen und Nachweise

ORD-Eintrag
ord-1ad376aa2c934046a5369c16a8e1f3b6
Quelldatensatz
uspto-grants-1990_07
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US04942163

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