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

4-Toluenesulfonyl chloride → 7-(Benzyloxy)-2-(chloromethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-imidazo[4,5-c]quinolin-4-amine

HRID 2426361
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 2426361
ClC1C=C(C=CC=1)C(OO)=O.[CH2:12]([O:19][C:20]1[CH:21]=[CH:22][C:23]2[C:24]3[N:32]([CH2:33][CH:34]4[CH2:39][CH2:38][O:37][CH2:36][CH2:35]4)[C:31]([CH2:40][Cl:41])=[N:30][C:25]=3[CH:26]=[N:27][C:28]=2[CH:29]=1)[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1.[OH-].[NH4+:43].C1(C)C=CC(S(Cl)(=O)=O)=CC=1.C(=O)([O-])[O-].[Na+].[Na+]>C(Cl)(Cl)Cl.ClCCl>[CH2:12]([O:19][C:20]1[CH:21]=[CH:22][C:23]2[C:24]3[N:32]([CH2:33][CH:34]4[CH2:39][CH2:38][O:37][CH2:36][CH2:35]4)[C:31]([CH2:40][Cl:41])=[N:30][C:25]=3[C:26]([NH2:43])=[N:27][C:28]=2[CH:29]=1)[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

8

Edukt 5

HCID 73974-Toluenesulfonyl chlorideHCID 10340Sodium CarbonateHCID 14923Ammonium HydroxideHCID 70297m-Chloroperbenzoic acidHCID 672629707-(benzyloxy)-2-(chloromethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-imidazo[4,5-c]quinoline

Produkt 1

HCID 67262968
7-(Benzyloxy)-2-(chloromethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-imidazo[4,5-c]quinolin-4-amine

Reagenzien, Katalysatoren, Lösungsmittel 2

HCID 6212ChloroformLösungsmittel2×HCID 6344DichloromethaneLösungsmittel

Versuchsvorschrift

3-Chloroperoxybenzoic acid (mCPBA) (1.4 g of 77% pure material, 4.74 mmol) was added over a period of five minutes to a solution of 7-(benzyloxy)-2-(chloromethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-imidazo[4,5-c]quinoline (2.0 g, 4.74 mmol) in chloroform (47 mL); the reaction mixture was stirred at ambient temperature for one hour. The reaction solution was partitioned between chloroform (50 mL) and saturated aqueous sodium carbonate (50 mL). The layers were separated and the aqueous layer extracted with chloroform (50 mL). The organic layers were combined, dried over sodium sulfate, filtered, and concentrated under reduced pressure to afford an oil. To the crude N-oxide dissolved in dichloromethane (24 mL) was added ammonium hydroxide (8 mL), and then p-toluenesulfonyl chloride (1.0 g, 3.11 mmol) was added in portions over a period of 2 minutes. The reaction mixture was stirred at ambient temperature for one hour, and then saturated aqueous sodium carbonate (50 mL) and chloroform (50 mL) were added. The aqueous layer was separated and extracted with chloroform (50 mL). The combined organic fractions were dried over sodium sulfate, filtered, and concentrated under reduced pressure to provide 2.1 g of crude product as a tan solid. The crude product was purified by column chromatography using a HORIZON HPFC system (an automated, modular high-performance flash purification product available from Biotage, Inc, Charlottesville, Va., USA) using a FLASH 40+M silica cartridge (also available from Biotage, Inc.) (eluting with dichloromethane:methanol in a gradient from 100:0 to 90:10) to provide 1.8 g of 7-(benzyloxy)-2-(chloromethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-imidazo[4,5-c]quinolin-4-amine as a tan solid.

Aufarbeitung

  1. customThe reaction solution was partitioned between chloroform (50 mL) and saturated aqueous sodium carbonate (50 mL)
  2. customThe layers were separated
  3. extractionthe aqueous layer extracted with chloroform (50 mL)
  4. dry with materialdried over sodium sulfate
  5. filtrationfiltered
  6. concentrationconcentrated under reduced pressure
  7. customto afford an oil
  8. stirringThe reaction mixture was stirred at ambient temperature for one hour
  9. customThe aqueous layer was separated
  10. extractionextracted with chloroform (50 mL)
  11. dry with materialThe combined organic fractions were dried over sodium sulfate
  12. filtrationfiltered
  13. concentrationconcentrated under reduced pressure
  14. customto provide 2.1 g of crude product as a tan solid
  15. customThe crude product was purified by column chromatography
  16. custommodular high-performance flash purification product available from Biotage, Inc, Charlottesville, Va
  17. wash) (eluting with dichloromethane

Quellen und Nachweise

ORD-Eintrag
ord-aa5d56f510a747798a95a96dece5a7c8
Quelldatensatz
uspto-grants-2011_06
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US07968563B2

Notizen zur Reaktion

Wird geladen…

Auf dieser SeiteKomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion