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

1,2-Dichloroethane → 2-bromo-7-iodo-3-(trifluoromethoxy)-9H-xanthen-9-one

HRID 335945
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 335945
FC1C=CC(I)=CC=1C(Cl)=O.BrC1C=CC(OC)=CC=1OC(F)(F)F.ClCCCl.[Cl-].[Al+3].[Cl-].[Cl-].[Br:34][C:35]1[C:36]([O:53][C:54]([F:57])([F:56])[F:55])=[CH:37][C:38]([O:51]C)=[C:39]([C:41]([C:43]2[CH:48]=[C:47]([I:49])[CH:46]=[CH:45][C:44]=2F)=[O:42])[CH:40]=1.C(O)C.CO.C[O-].[Na+].C1C2C(=O)C3C(=CC=CC=3)OC=2C=CC=1>>[Br:34][C:35]1[C:36]([O:53][C:54]([F:57])([F:56])[F:55])=[CH:37][C:38]2[O:51][C:44]3[C:43](=[CH:48][C:47]([I:49])=[CH:46][CH:45]=3)[C:41](=[O:42])[C:39]=2[CH:40]=1
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

10

Edukt 9

HCID 111,2-DichloroethaneHCID 702EthanolHCID 887MethanolHCID 7020XanthoneHCID 27782042-Fluoro-5-iodobenzoyl chlorideHCID 6451240Aluminum(III) ChlorideHCID 10942334Sodium Methoxide
HCID 53415910
1-Bromo-4-methoxy-2-(trifluoromethoxy)benzene
HCID 67383501(5-Bromo-2-methoxy-4-(trifluoromethoxy)phenyl)(2-fluoro-5-iodophenyl)methanone

Produkt 1

HCID 674359492-bromo-7-iodo-3-(trifluoromethoxy)-9H-xanthen-9-oneAusbeute 29 %

Reaktionsbedingungen

Temperatur
2.5 °C

Versuchsvorschrift

In a 500 mL flask, 2-fluoro-5-iodobenzoyl chloride (6.06 g, 21.3 mmol) and 1-bromo-4-methoxy-2-(trifluoromethoxy)benzene (5.77 g, 21.3 mmol) were dissolved in 1,2-dichloroethane (50.7 mL, 21.3 mmol) and the solution was cooled to 0 to 5° C. Aluminum chloride (2.84 g, 21.3 mmol) was added portionwise to the solution. The red solution was warmed to rt. After 2 h, LCMS showed mainly (5-bromo-2-methoxy-4-(trifluoromethoxy)phenyl)(2-fluoro-5-iodophenyl)methanone. The whole was refluxed for 1 h. LCMS showed complete consumption of (5-bromo-2-methoxy-4-(trifluoromethoxy)phenyl)(2-fluoro-5-iodophenyl)methanone. The reaction was cooled to rt. Ice (5-10 chips) and concentrated HCl (2 mL) was added until pH ˜1. The whole was stirred at rt for 30 min. The resulting slurry was extracted with ether (3×80 mL). The organic layer was washed with water, dried over MgSO4, filtered, and concentrated to afford a semi-black solid that was carried on to the next step. The crude was added to a mixture of ethanol (85 mL, 21.3 mmol), methanol (30.4 mL, 21.3 mmol), and sodium methoxide (2.30 g, 42.6 mmol) at rt. After refluxing for 1 h, LCMS showed mainly the cyclized xanthenone product. The whole was cooled to rt and concentrated. Water (80 mL) and EtOAc (120 mL) was added. The product was extracted with EtOAc (2×80 mL). The organic layer was separated, combined, dried over MgSO4, filtered, and concentrated. Trituration with hexanes gave 2-bromo-7-iodo-3-(trifluoromethoxy)-9H-xanthen-9-one (2.94 g, 6.06 mmol, 29% yield) as a gray solid. LCMS (ESI) calcd for C14H5BrF3IO3: [M]+=484. Found [M+H]+=485.

Aufarbeitung

  1. temperatureThe red solution was warmed to rt
  2. temperatureThe whole was refluxed for 1 h
  3. customconsumption of (5-bromo-2-methoxy-4-(trifluoromethoxy)phenyl)(2-fluoro-5-iodophenyl)methanone
  4. temperatureThe reaction was cooled to rt
  5. additionIce (5-10 chips) and concentrated HCl (2 mL) was added until pH ˜1
  6. extractionThe resulting slurry was extracted with ether (3×80 mL)
  7. washThe organic layer was washed with water
  8. dry with materialdried over MgSO4
  9. filtrationfiltered
  10. concentrationconcentrated
  11. customto afford a semi-black solid
  12. temperatureAfter refluxing for 1 h
  13. temperatureThe whole was cooled to rt
  14. concentrationconcentrated
  15. additionWater (80 mL) and EtOAc (120 mL) was added
  16. extractionThe product was extracted with EtOAc (2×80 mL)
  17. customThe organic layer was separated
  18. dry with materialdried over MgSO4
  19. filtrationfiltered
  20. concentrationconcentrated

Quellen und Nachweise

ORD-Eintrag
ord-0ca9690638104c1e9d493f646d48983e
Quelldatensatz
uspto-grants-2014_11
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US08883782B2

Notizen zur Reaktion

Wird geladen…

Auf dieser SeiteKomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion