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Hydrochloric Acid → (S)-3-Amino-2-hydroxy-4-methyl-pentanoic acid

HRID 473549
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 473549
C(OC(=O)[NH:10][C@@H:11]([CH:16]([CH3:18])[CH3:17])C(C#N)O)C1C=CC=CC=1.Cl.C1([O:27]C)C=CC=CC=1.[O:29]1[CH2:34][CH2:33][O:32]CC1>>[NH2:10][CH:11]([CH:16]([CH3:18])[CH3:17])[C@H:33]([OH:32])[C:34]([OH:29])=[O:27]
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

5

Edukt 4

HCID 313Hydrochloric AcidHCID 7519AnisoleHCID 312751,4-DioxaneHCID 18648816((S)-2-Cyano-2-hydroxy-1-isopropyl-ethyl)-carbamic acid benzyl ester

Produkt 1

HCID 86674879(S)-3-Amino-2-hydroxy-4-methyl-pentanoic acid

Reaktionsbedingungen

Temperatur
110 °C

Versuchsvorschrift

To a solution of ((S)-2-Cyano-2-hydroxy-1-isopropyl-ethyl)-carbamic acid benzyl ester (10) (5.1 g, 19.5 mmol) in 1,4-dioxane (90 mL) was added conc. HCl (90 mL) and anisole (1.5 equiv.) and the mixture was heated to 110° C. for 18 h. The reaction mixture was cooled to ambient temperature and concentrated under vacuum to remove the dioxane. The mixture was then washed with EtOAc and the residue further concentrated under vacuum at 40° C. to remove the conc HCl. Any residual water was removed by azeotroping with toluene. The residue was washed with Et2O (2×50 mL) to afford hydroxyl acid (11) as a gummy solid (crude, mixture of diastereoisomers). 1H NMR (400 MHz, DMSO-d6): δ 8.20 (1H, brs), 7.96 (1H, brs), 4.42 (1H, d J=3.0 Hz), 4.17 (1H, d J=4.0 Hz), 3.17-3.05 (2H, m), 1.98-1.86 (2H, m), 0.96-0.86 (6H, m); m/z 148 (MH)+.

Aufarbeitung

  1. temperatureThe reaction mixture was cooled to ambient temperature
  2. concentrationconcentrated under vacuum
  3. customto remove the dioxane
  4. washThe mixture was then washed with EtOAc
  5. concentrationthe residue further concentrated under vacuum at 40° C.
  6. customto remove the conc HCl
  7. customAny residual water was removed
  8. customby azeotroping with toluene
  9. washThe residue was washed with Et2O (2×50 mL)
  10. customto afford
  11. additionhydroxyl acid (11) as a gummy solid (crude, mixture of diastereoisomers)

Quellen und Nachweise

ORD-Eintrag
ord-cc982a9642214224b53d4fa5e46dc4fa
Quelldatensatz
uspto-grants-2014_01
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US08637453B2

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