StartseiteMCPWorkbenchSkills
StartseiteWorkbenchBenachrichtigungenMein Bereich
llms.txt · MCP-AnleitungDatenschutz · Nutzungsbedingungen · Supportv1.8.0
  1. Startseite
  2. /Reaktion

Pyridine → 8-Bromo-2,3,4,5-tetrahydro-1H-benzo[b]azepine

HRID 1478673
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 1478673
[Br:1][C:2]1[CH:3]=[CH:4]C2=[C:6]([CH:20]=1)CN(C)CC=C2C1C=CC(F)=CC=1.C(=O)([O-])[O-].[K+].[K+].[N:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1>>[Br:1][C:2]1[CH:3]=[CH:4][C:28]2[CH2:29][CH2:30][CH2:31][CH2:32][NH:27][C:6]=2[CH:20]=1
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

4

Edukt 3

HCID 1049PyridineHCID 11430Potassium CarbonateHCID 66965181(Z)-8-bromo-5-(4-fluorophenyl)-2-methyl-2,3-dihydro-1H-benzo[c]azepine

Produkt 1

HCID 162444748-Bromo-2,3,4,5-tetrahydro-1H-benzo[b]azepineAusbeute 71 %

Versuchsvorschrift

To a solution of the dihydrobenzazepine (2.43 g, 7.31 mmol) from step F above in pyridine (50 mL) were added potassium carbonate (8.08 g, 58.5 mmol) and p-toluenesulfonylhydrazide (5.45 g, 29.3 mmol) in batches. The reaction solution was heated under reflux for 48 h and then cooled to room temperature. The resultant reaction mixture was filtered through Celite. The Celite bed was washed with ethyl acetate. The filtrate was concentrated under reduced pressure. The residue dissolved in ethyl acetate was washed with water and brine, dried over sodium sulfate and concentrated under reduced pressure. The residue obtained was purified by flash column chromatography (3 to 5% methanol/dichloromethane) to give the desired 8-bromotetrahydrobenzazepine (1.74 g, 71%): 1H NMR (500 MHz, CDCl3) δ 7.31 (d, J=2.1 Hz, 1H), 7.20-7.16 (m, 1H), 7.13-7.10 (m, 2H), 7.04 (t, J=8.6 Hz, 2H), 6.49 (br, 1H), 4.24 (d, J=9.3 Hz, 1H), 3.88 (d, J=12.2 Hz, 1H), 3.67 (d, J=14.3 Hz, 1H), 3.12-3.09 (m, 1H), 2.98-2.93 (m, 1H), 2.34 (s, 3H), 2.30-2.23 (m, 1H), 2.08-2.04 (m, 1H); ESI MS m/z 334, 336 [M+H]+.

Aufarbeitung

  1. temperatureThe reaction solution was heated
  2. temperatureunder reflux for 48 h
  3. customThe resultant reaction mixture
  4. filtrationwas filtered through Celite
  5. washThe Celite bed was washed with ethyl acetate
  6. concentrationThe filtrate was concentrated under reduced pressure
  7. dissolutionThe residue dissolved in ethyl acetate
  8. washwas washed with water and brine
  9. dry with materialdried over sodium sulfate
  10. concentrationconcentrated under reduced pressure
  11. customThe residue obtained
  12. customwas purified by flash column chromatography (3 to 5% methanol/dichloromethane)

Quellen und Nachweise

ORD-Eintrag
ord-286dda0cbaad47cab7b7e4ef2873b92b
Quelldatensatz
uspto-grants-2016_08
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US09403776B2

Notizen zur Reaktion

Wird geladen…

Auf dieser SeiteKomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion