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Ammonium Chloride → 2,4,5,6-Tetrachloro-1-(2-methoxy-ethoxymethyl)-1H-benzoimidazole

HRID 408763
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 408763
[Cl:1][C:2]1[C:10]2[N:9]=[CH:8][N:7]([CH2:11][O:12][CH2:13][CH2:14][O:15][CH3:16])[C:6]=2[CH:5]=[C:4]([Cl:17])[C:3]=1[Cl:18].C([N-]C(C)C)(C)C.[Li+].[Cl:27]N1C(=O)CCC1=O.[NH4+].[Cl-]>C1COCC1>[Cl:27][C:8]1[N:7]([CH2:11][O:12][CH2:13][CH2:14][O:15][CH3:16])[C:6]2[CH:5]=[C:4]([Cl:17])[C:3]([Cl:18])=[C:2]([Cl:1])[C:10]=2[N:9]=1
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

6

Edukt 4

HCID 25517Ammonium ChlorideHCID 31398ChlorosuccinimideHCID 2724682Lithium diisopropylamideHCID 669373514,5,6-Trichloro-1-(2-methoxy-ethoxymethyl)-1H-benzoimidazole

Produkt 1

HCID 669374782,4,5,6-Tetrachloro-1-(2-methoxy-ethoxymethyl)-1H-benzoimidazole

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 8028
Tetrahydrofuran
Lösungsmittel
2×

Reaktionsbedingungen

Temperatur
-78 °C

Versuchsvorschrift

A solution of 4,5,6-trichloro-1-(2-methoxy-ethoxymethyl)-1H-benzoimidazole (0.388 g, 1.26 mmol) and THF (6 mL) was cooled to −78° C. in an acetone/dry ice bath. Lithium diisopropylamide (1.0 M solution in THF, 2.52 mL, 2.52 mmol) was added dropwise and the reaction mixture was stirred at −78° C. for 1 h. A solution of N-chlorosuccinimide (0.336 g, 2.52 mmol) and THF (2 mL) was added. The reaction mixture was warmed to 23° C. and stirred for 2 h. Saturated aqueous NH4Cl was added and the crude product was extracted with EtOAc. The combined organic layers were dried, filtered, and concentrated under reduced pressure. The residue was purified (FCC) to yield the titled compound as a mixture of regioisomers (0.267 g, 62%). MS (ESI/CI): mass calcd. for C11H10Cl4N2O2, 342.0; m/z found, 343.0 [M+H]+. 1H NMR (400 MHz, DMSO-d6): 8.18 (s, 1H), 8.03 (s, 1H), 5.88 (d, J=5.8 Hz, 2H), 5.71 (s, 2H), 3.71-3.66 (m, 2H), 3.64-3.61 (m, 2H), 3.44-3.38 (m, 4H), 3.17 (t, J=1.7 Hz, 6H).

Aufarbeitung

  1. temperatureThe reaction mixture was warmed to 23° C.
  2. stirringstirred for 2 h
  3. extractionthe crude product was extracted with EtOAc
  4. customThe combined organic layers were dried
  5. filtrationfiltered
  6. concentrationconcentrated under reduced pressure
  7. customThe residue was purified (FCC)

Quellen und Nachweise

ORD-Eintrag
ord-de609b100071437db8392222d6477d67
Quelldatensatz
uspto-grants-2014_06
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US08759345B2

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