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Hydrochloric Acid → Methyl (2S)-2-({2-[(tert-butoxycarbonyl)amino]ethyl}amino)-3-(1H-imidazol-4-yl)propanoate

HRID 497555
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Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 497555
[CH3:1][O:2][C:3](=[O:12])[C@H:4]([CH2:6][C:7]1[N:11]=[CH:10][NH:9][CH:8]=1)[NH2:5].C([O-])(=O)C.[Na+].O=[CH:19][CH2:20][NH:21][C:22](=[O:28])[O:23][C:24]([CH3:27])([CH3:26])[CH3:25].C([BH3-])#N.[Na+].Cl.C(=O)([O-])[O-].[Na+].[Na+]>CO>[C:24]([O:23][C:22]([NH:21][CH2:20][CH2:19][NH:5][C@@H:4]([CH2:6][C:7]1[N:11]=[CH:10][NH:9][CH:8]=1)[C:3]([O:2][CH3:1])=[O:12])=[O:28])([CH3:27])([CH3:26])[CH3:25]
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

8

Edukt 6

HCID 313Hydrochloric AcidHCID 10340Sodium CarbonateHCID 517045Sodium AcetateHCID 4247255tert-butyl N-(2-oxoethyl)carbamateHCID 5003444Sodium cyanoborohydrideHCID 178501495HCID 178501495, Verbindung

Produkt 1

HCID 178501399
Methyl (2S)-2-({2-[(tert-butoxycarbonyl)amino]ethyl}amino)-3-(1H-imidazol-4-yl)propanoate
Ausbeute 79 %

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 887MethanolLösungsmittel

Versuchsvorschrift

L-Histidine methyl ester (7.93 g, 32.8 mmol) and sodium acetate (10.75 g, 131 mmol) were added to a stirred solution of tert-butyl N-(2-oxoethyl)carbamate (5.22 g, 32.8 mmol) in methanol (100 ml). 4 Å molecular sieves and sodium cyanoborohydride (4.12 g, 65.6 mmol) were added and the mixture was stirred at room temperature for 17 hours. Aqueous hydrochloric acid (2N, 4 ml) was added and the mixture was then basified with saturated aqueous sodium carbonate solution to pH=10. The mixture was filtered to remove solid which was washed with methanol. Methanol was removed by evaporation under reduced pressure and the residual aqueous solution was extracted with ethyl acetate (2×300 ml). The combined organic extracts were then dried (MgSO4), filtered, and concentrated under reduced pressure. The resultant residue was purified by column chromatography on silica gel, eluting with a solvent gradient of dichloromethane:methanol (96:4 to 92:8), to afford the title compound as a colorless oil, 8.07 g, 79% yield.

Aufarbeitung

  1. filtrationThe mixture was filtered
  2. customto remove solid which
  3. washwas washed with methanol
  4. customMethanol was removed by evaporation under reduced pressure
  5. extractionthe residual aqueous solution was extracted with ethyl acetate (2×300 ml)
  6. dry with materialThe combined organic extracts were then dried (MgSO4)
  7. filtrationfiltered
  8. concentrationconcentrated under reduced pressure
  9. customThe resultant residue was purified by column chromatography on silica gel
  10. washeluting with a solvent gradient of dichloromethane:methanol (96:4 to 92:8)

Quellen und Nachweise

ORD-Eintrag
ord-d32c5c04ec1f4be7978cd3cf53678716
Quelldatensatz
uspto-grants-2005_09
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US06949577B2

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