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Ammonium Chloride → (3S)-tert-butyl 3-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate

HRID 625565
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 625565
CCCC[N+](CCCC)(CCCC)CCCC.[F-].[Si]([O:36][CH2:37][C@@H:38]1[CH2:43][CH:42]2[CH:40]([CH2:41]2)[N:39]1[C:44]([O:46][C:47]([CH3:50])([CH3:49])[CH3:48])=[O:45])(C(C)(C)C)(C1C=CC=CC=1)C1C=CC=CC=1.[NH4+].[Cl-]>C1COCC1>[OH:36][CH2:37][C@@H:38]1[CH2:43][CH:42]2[CH:40]([CH2:41]2)[N:39]1[C:44]([O:46][C:47]([CH3:50])([CH3:49])[CH3:48])=[O:45]
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

5

Edukt 3

HCID 25517Ammonium ChlorideHCID 2724141Tetrabutylammonium FluorideHCID 59236982tert-butyl (3S)-3-[[(tert-butyldiphenylsilyl)oxy]methyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate

Produkt 1

HCID 59237104(3S)-tert-butyl 3-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-2-carboxylateAusbeute 94 %

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 8028
Tetrahydrofuran
Lösungsmittel

Versuchsvorschrift

TBAF (7.27 mL of 1.0 M in THF, 7.27 mmol) was added dropwise over 5 min to a THF (30 mL) solution of (3S)-tert-butyl 3-((tert-butyldiphenylsilyloxy)methyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate (mixture of cis/trans-isomers) (3.13 g, 6.93 mmol) and the mixture was stirred at ambient temperature for 4.75 h. After the addition of saturated NH4Cl solution (5 mL), most of the volatile material was removed in vacuo and the residue partitioned between CH2Cl2 (70 mL) and 50% saturated NH4Cl solution (30 mL). The aqueous phase was extracted with CH2Cl2 (30 mL) and the combined organic phase was dried (MgSO4), filtered, concentrated in vacuo and then exposed to high vacuum overnight. The crude material was purified using a flash chromatography (silica gel; 40-50% EtOAc/hexanes) to afford (3S)-tert-butyl 3-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate (1.39 g, 94% yield) as a mixture of cis/trans-isomers and a colorless oil. [Note: the exact cis/trans-isomer ratio was not determined at this stage.] LC-MS (M+Na)+=236.20. 1H NMR (400 MHz, DMSO-d6, δ=2.5 ppm) δ ppm 4.70 (t, J=5.7, 1H), 3.62-3.56 (m, 1H), 3.49-3.44 (m, 1H), 3.33-3.27 (m, 1H), 3.08-3.04 (m, 1H), 2.07 (br m, 1H), 1.93-1.87 (m, 1H), 1.51-1.44 (m, 1H), 1.40 (s, 9H), 0.76-0.71 (m, 1H), 0.26 (m, 1H).

Aufarbeitung

  1. custommost of the volatile material was removed in vacuo
  2. customthe residue partitioned between CH2Cl2 (70 mL) and 50% saturated NH4Cl solution (30 mL)
  3. extractionThe aqueous phase was extracted with CH2Cl2 (30 mL)
  4. dry with materialthe combined organic phase was dried (MgSO4)
  5. filtrationfiltered
  6. concentrationconcentrated in vacuo
  7. customexposed to high vacuum overnight
  8. customThe crude material was purified

Quellen und Nachweise

ORD-Eintrag
ord-b386108e23c546e2ac5a04b0a22378dd
Quelldatensatz
uspto-grants-2016_04
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US09303007B2

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