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Potassium Hydroxide → tert-Butyl 4-(4-bromo-1-(2-hydroxyethyl)-1H-imidazol-2-yl)piperidine-1-carboxylate

HRID 2283940
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Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 2283940
[Br:1][C:2]1[N:3]=[C:4]([CH:7]2[CH2:12][CH2:11][N:10]([C:13]([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:14])[CH2:9][CH2:8]2)[NH:5][CH:6]=1.[OH-].[K+].Br[CH2:23][CH2:24][O:25]C1CCCCO1.O.C1(C)C=CC(S(O)(=O)=O)=CC=1>CS(C)=O.C(OCC)(=O)C>[Br:1][C:2]1[N:3]=[C:4]([CH:7]2[CH2:8][CH2:9][N:10]([C:13]([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:14])[CH2:11][CH2:12]2)[N:5]([CH2:23][CH2:24][OH:25])[CH:6]=1
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

7

Edukt 4

HCID 14797Potassium HydroxideHCID 866212-(2-Bromoethoxy)tetrahydro-2H-pyranHCID 521998p-Toluenesulfonic acid monohydrateHCID 178451789HCID 178451789, Verbindung

Produkt 1

HCID 67265139tert-Butyl 4-(4-bromo-1-(2-hydroxyethyl)-1H-imidazol-2-yl)piperidine-1-carboxylateAusbeute 61,6 %

Reagenzien, Katalysatoren, Lösungsmittel

2
HCID 679Dimethyl SulfoxideLösungsmittelHCID 8857Ethyl AcetateLösungsmittel2×

Versuchsvorschrift

A suspension of tert-butyl 4-(4-bromo-1H-imidazol-2-yl)piperidine-1-carboxylate (36.0 g, 109.02 mmol) in dry DMSO (400 mL) was treated with KOH (36.0 g, 641.60 mmol, 4.5 eq), and the contents became a clear-yellow solution after 20-30 min. After 90 min, the solution was treated with 2-(2-bromoethoxy)terahydropyran (36.0 g, 172.18 mmol, 1.2 eq). The reaction was deemed complete after 4 h by LCMS data, so the contents were diluted with ethyl acetate (800 mL) and washed with brine (3×800 mL). The organics were dried over sodium sulfate and concentrated to an oil with an approximate 8:1 ratio of regioisomers and the major isomer is the desired one. The oil was redissolved in methanol (400 mL) and treated with p-toluenesulfonic acid monohydrate (32.11 g, 168.80 mmol, 1.5 eq). The contents were stirred at room temp for 20 min, poured into ethyl acetate (500 mL) and washed with aqueous potassium carbonate (400 mL), followed by brine (2×400 mL). The organics were dried over sodium sulfate and concentrated to a colorless oil that was further dried under vacuum for 60 min. The resultant, thick oil was suspended in diethyl ether (200 mL) and rolled in an ice-water-salt bath for 90 min. A white solid precipitated, which was filtered and dried under vacuum for 30 min to give the title compound (25.15 g, 67.20 mmol, 62%, >96% by NMR and LCMS data).

Aufarbeitung

  1. customafter 20-30 min
  2. waitThe reaction was deemed complete after 4 h by LCMS data, so the contents
  3. washwashed with brine (3×800 mL)
  4. dry with materialThe organics were dried over sodium sulfate
  5. concentrationconcentrated to an oil with an approximate 8:1 ratio of regioisomers
  6. dissolutionThe oil was redissolved in methanol (400 mL)
  7. washwashed with aqueous potassium carbonate (400 mL)
  8. dry with materialThe organics were dried over sodium sulfate
  9. concentrationconcentrated to a colorless oil that
  10. customwas further dried under vacuum for 60 min
  11. waitrolled in an ice-water-salt bath for 90 min
  12. customA white solid precipitated
  13. filtrationwhich was filtered
  14. customdried under vacuum for 30 min

Quellen und Nachweise

ORD-Eintrag
ord-79be80aab7894417a52039b5c2a9ce71
Quelldatensatz
uspto-grants-2015_09
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US09145392B2

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