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Hydrochloric Acid → Methyl 5-(2,6-dimethoxyphenyl)-3,3-dimethyl-5-oxopentanoate

HRID 594373
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 594373
I[C:2]1[C:7]([O:8][CH3:9])=[CH:6][CH:5]=[CH:4][C:3]=1[O:10][CH3:11].[CH:12]([Mg]Cl)(C)C.[CH3:17][C:18]1([CH3:26])[CH2:23][C:22](=[O:24])[O:21][C:20](=[O:25])[CH2:19]1.Cl.[NH4+].[Cl-].C([O-])([O-])=O.[Cs+].[Cs+].IC>C1COCC1.[Cu]I.O.CCOC(C)=O.CN(C=O)C.CCOCC>[CH3:11][O:10][C:3]1[CH:4]=[CH:5][CH:6]=[C:7]([O:8][CH3:9])[C:2]=1[C:22](=[O:24])[CH2:23][C:18]([CH3:17])([CH3:26])[CH2:19][C:20]([O:21][CH3:12])=[O:25]
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

14

Edukt 7

HCID 313Hydrochloric AcidHCID 6328Methyl iodideHCID 10796Cesium carbonateHCID 25517Ammonium ChlorideHCID 778133,3-Dimethylglutaric anhydrideHCID 113914072-Iodo-1,3-dimethoxybenzeneHCID 178418918HCID 178418918, Verbindung

Produkt 1

HCID 69083859Methyl 5-(2,6-dimethoxyphenyl)-3,3-dimethyl-5-oxopentanoate

Reagenzien, Katalysatoren, Lösungsmittel 6

HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)KatalysatorHCID 962WaterLösungsmittelHCID 3283Diethyl EtherLösungsmittelHCID 6228DimethylformamideLösungsmittelHCID 8028TetrahydrofuranLösungsmittel3×HCID 8857Ethyl AcetateLösungsmittel

Reaktionsbedingungen

Temperatur
-10 °C

Versuchsvorschrift

A cooled (−10° C.) solution of commercially available 2-iodo-1,3-dimethoxybenzene (2.000 g; 7.57 mmol) in anh. THF (30 ml) was treated dropwise with a solution of 2 M isopropylmagnesium chloride in THF (5.10 ml; 10.20 mmol), and the mixture was further stirred at −10° C., under nitrogen, for 15 min. This mixture was then added dropwise to a cooled (−40° C.) solution of commercially available 4,4-dimethyldihydro-2H-pyran-2,6(3H)-dione (1.184 g; 8.33 mmol) and CuI (360 mg; 1.89 mmol) in anh. THF (20 ml). Stirring was continued at −40° C. for 20 min., and 2 M aq. HCl (11.5 ml) was then added dropwise. Et2O (100 ml), and aq. sat. NH4Cl (30 ml) were added, and the separated organic layer was dried over anh. MgSO4, filtered, and concentrated to dryness under reduced pressure. Anh. DMF (20 ml), and Cs2CO3 (3.080 g; 9.45 mmol) were successively added, and stirring at rt was continued for 15 min. After cooling to 0° C., iodomethane (1.610 g; 11.34 mmol) was added dropwise, and the resulting mixture was further stirred at 0° C. for 10 min., and then at rt for 1.5 h. AcOEt (100 ml) and water (100 ml) were added, and the separated organic layer was further washed with brine (25 ml), dried over anh. MgSO4, filtered, and concentrated to dryness under reduced pressure. Purification by FC (DCM/MeOH=20/1) afforded methyl 5-(2,6-dimethoxyphenyl)-3,3-dimethyl-5-oxopentanoate as a yellow oil. LC-MS (conditions D): tR=1.01 min.; [M+H]+: 295.39 g/mol.

Aufarbeitung

  1. additionThis mixture was then added dropwise to
  2. stirringStirring
  3. waitwas continued at −40° C. for 20 min.
  4. dry with materialthe separated organic layer was dried over anh. MgSO4
  5. filtrationfiltered
  6. concentrationconcentrated to dryness under reduced pressure
  7. stirringstirring at rt
  8. waitwas continued for 15 min
  9. temperatureAfter cooling to 0° C.
  10. stirringthe resulting mixture was further stirred at 0° C. for 10 min.
  11. waitat rt for 1.5 h
  12. washthe separated organic layer was further washed with brine (25 ml)
  13. dry with materialdried over anh. MgSO4
  14. filtrationfiltered
  15. concentrationconcentrated to dryness under reduced pressure
  16. customPurification by FC (DCM/MeOH=20/1)

Quellen und Nachweise

ORD-Eintrag
ord-21716418ad5442ccb4d62f2205e36ad8
Quelldatensatz
uspto-grants-2016_01
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US09242970B2

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