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Allyl bromide → 4-Methoxyphenyl 3-O-prop-2-en-1-yl-beta-D-galactopyranoside

HRID 1067045
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 1067045
C([O:4][C@@H:5]1[C@@H:19]([O:20][C:21](=O)[CH3:22])[C@@H:18]([O:24]C(=O)C)[C@@H:17]([CH2:28][O:29]C(=O)C)[O:16][C@H:6]1[O:7][C:8]1[CH:13]=[CH:12][C:11]([O:14][CH3:15])=[CH:10][CH:9]=1)(=O)C.C[O-].[Na+].O(C1C=CC(OC)=CC=1)[C@@H:37]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.C([Sn](=O)CCCC)CCC.C(Br)C=C>CO.[I-].C([N+](CCCC)(CCCC)CCCC)CCC>[CH2:21]([O:20][C@H:19]1[C@@H:18]([OH:24])[C@@H:17]([CH2:28][OH:29])[O:16][C@@H:6]([O:7][C:8]2[CH:13]=[CH:12][C:11]([O:14][CH3:15])=[CH:10][CH:9]=2)[C@@H:5]1[OH:4])[CH:22]=[CH2:37]
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

8

Edukt 5

HCID 7841Allyl bromide2×HCID 61221Dibutyltin oxideHCID 10942334Sodium MethoxideHCID 113006434-Methoxyphenyl beta-D-GalactopyranosideHCID 13325756(2R,3S,4S,5R,6S)-2-(Acetoxymethyl)-6-(4-methoxyphenoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate

Produkt 1

HCID 15540867
4-Methoxyphenyl 3-O-prop-2-en-1-yl-beta-D-galactopyranoside
Ausbeute 85 %

Reagenzien, Katalysatoren, Lösungsmittel 2

HCID 67553Tetrabutylammonium IodideKatalysatorHCID 887MethanolLösungsmittel2×

Reaktionsbedingungen

Temperatur
60 °C

Versuchsvorschrift

To a solution of 6 (5.25 g, 11.57 mmol) in anhydrous methanol (50 mL) and under nitrogen was added a catalytic amount of sodium methoxide. After 5 hours at room temperature, the reaction mixture was neutralized with resin IR 120 (H+), filtered, and the solvent was evaporated. The resulting p-methoxyphenyl β-D-galactopyranoside 7 was used without any further purification and characterization. Compound 7 (3.24 g, 11.34 mmol) in solution in anhydrous methanol (50 mL) and under nitrogen was reacted with dibutyltin oxide (3.11 g, 12.48 mmol). After 4 hours at reflux, the reaction mixture was concentrated under vacuum. The dried residue was suspended in toluene (80 mL) and treated with allyl bromide (1.17 mL, 13.61 mmol) and tetrabutylammonium iodide (4.17 g, 11.34 mmol). The suspension was stirred under nitrogen at 60° C. for 18 h. TLC of the resulting brownish solution showed the presence of 50% of unreacted starting material. This solution was reacted with additional allyl bromide (0.58 mL, 6.80 mmol). After 18 hours at 60° C., the solvent was evaporated and the residue was purified by chromatography on silica gel (ethyl acetate) to afford 8 in 85% yield (3.16 g), isolated as yellowish crystals. Recrystallization of 8 in ethyl acetate afforded white crystals. mp=140-141° C.; [αD]23 =−8° (c 1, CHCl3); 1H NMR (500 MHz, CD3OD): δ3.32 (m, 1H, H-5), 3.39 (dd, 1H, J2,3 9.5 Hz, J3,4 3.2 Hz, H-3), 3.58 (t, 1H, J5,6b 6.1 Hz, J6a,6b 6.0 Hz, H-6b), 3.75 (s, 3H, OMe), 3.78 (dd, 1H, J5,6a 4.8 Hz, H-6a), 3.86 (dd, 1H, J1,2 7.9 Hz, H-2), 4.07 (d, 1H, J4,5<1.5 Hz, H-4), 4.17 and 4.26 (2 dd, 1H each, OCH2), 4.74 (d, 1H, H-1), 5.18 and 5.34 (2 dd, 1H each, CH═CH2), 6.00 (m, 1H, CH═CH2), 6.80 and 7.08 (2 d, 2H each, Ph). Anal. Calcd for C16H22O7 (326.3): C 58.89, H 6.79; found: C 58.37, H 6.91.

Aufarbeitung

  1. filtrationfiltered
  2. customthe solvent was evaporated
  3. customThe resulting p-methoxyphenyl β-D-galactopyranoside 7 was used without any further purification and characterization
  4. temperatureAfter 4 hours at reflux
  5. concentrationthe reaction mixture was concentrated under vacuum
  6. waitAfter 18 hours at 60° C.
  7. customthe solvent was evaporated
  8. customthe residue was purified by chromatography on silica gel (ethyl acetate)
  9. customto afford 8 in 85% yield (3.16 g)
  10. customisolated as yellowish crystals
  11. customRecrystallization of 8 in ethyl acetate afforded white crystals
  12. custom[αD]23 =−8° (c 1, CHCl3)

Quellen und Nachweise

ORD-Eintrag
ord-d9e1f996fe63458ab5ba8fd4c698f64d
Quelldatensatz
uspto-grants-2001_06
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US06245902B1

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