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

Phosphorus oxychloride → 4-Chloroimidazo(2,1-f)(1,2,4)triazine

HRID 709931
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 709931
[CH:1]1[N:5]=[C:4]2[C:6]([N:8]=[CH:9][NH:10][N:3]2[CH:2]=1)=O.O=P(Cl)(Cl)[Cl:13]>>[CH:1]1[N:5]=[C:4]2[C:6]([Cl:13])=[N:8][CH:9]=[N:10][N:3]2[CH:2]=1
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

3

Edukt 2

HCID 24813Phosphorus oxychlorideHCID 178518231HCID 178518231, Verbindung

Produkt 1

HCID 457897354-Chloroimidazo(2,1-f)(1,2,4)triazine

Versuchsvorschrift

A mixture of ethyl 1-amino-1H-imidazole-2-carboxylate (C-4) (800 mg, 5.16 mmol, 1.0 eq) and formamidine acetate (2.68 g, 25.78 mmol, 5.0 eq) in EtOH (100 mL) is stirred at reflux overnight. The resulting mixture is cooled to RT. The solid is collected by filtration, rinsed with EtOH (3×2 mL) and petroleum ether (2 mL×3), and then dried in vacuo to afford the product, imidazo[1,2-f][1,2,4]triazin-4-ol (C-5). Imidazo[1,2-f][1,2,4]triazin-4-ol (C-5) (400 mg, 2.94 mmol, 1.0 eq) is dissolved in POCl3 (10 mL, 109.2 mmol, 37.1 eq) and the resulting mixture is stirred at reflux for 2 h. The mixture is concentrated in vacuo to remove POCl3. The residue is poured into ice water (30 mL) and neutralized with saturated aqueous NaHCO3 solution to adjust the pH to 6-7 while keeping the temperature below 5° C. The mixture is extracted with ethyl acetate (30 mL×4). The combined organic layers are washed with brine, dried over Na2SO4 and filtered. The filtrate is concentrated in vacuo and the residue is purified by flash column chromatography on silica gel (16% ethyl acetate in petro ether) to afford the product, 4-chloroimidazo[1,2-f][1,2,4]triazine (C-6).

Aufarbeitung

  1. temperatureat reflux for 2 h
  2. concentrationThe mixture is concentrated in vacuo
  3. customto remove POCl3
  4. additionThe residue is poured into ice water (30 mL)
  5. customthe temperature below 5° C
  6. extractionThe mixture is extracted with ethyl acetate (30 mL×4)
  7. washThe combined organic layers are washed with brine
  8. dry with materialdried over Na2SO4
  9. filtrationfiltered
  10. concentrationThe filtrate is concentrated in vacuo
  11. customthe residue is purified by flash column chromatography on silica gel (16% ethyl acetate in petro ether)

Quellen und Nachweise

ORD-Eintrag
ord-d7b95ac50e0f4feb896d41ef483528f6
Quelldatensatz
uspto-grants-2015_11
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US09181221B2

Notizen zur Reaktion

Wird geladen…

Auf dieser SeiteKomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion