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Hydrochloric Acid → HCID 57842761, Verbindung

HRID 735493
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 735493
Br[C:2]1[CH:14]=[CH:13][C:5]([O:6][CH2:7][CH2:8][CH2:9][C:10]([OH:12])=[O:11])=[CH:4][CH:3]=1.CC1(C)C[O:20][B:19](B2OCC(C)(C)CO2)[O:18]C1.C([O-])(=O)C.[K+].Cl>C1C=CC([PH+]([C]2[CH][CH][CH][CH]2)C2C=CC=CC=2)=CC=1.C1C=CC([PH+]([C]2[CH][CH][CH][CH]2)C2C=CC=CC=2)=CC=1.C(Cl)Cl.Cl[Pd]Cl.[Fe].CS(C)=O>[B:19]([C:2]1[CH:14]=[CH:13][C:5]([O:6][CH2:7][CH2:8][CH2:9][C:10]([OH:12])=[O:11])=[CH:4][CH:3]=1)([OH:20])[OH:18]
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

7

Edukt 4

HCID 313Hydrochloric AcidHCID 517044Potassium AcetateHCID 23844544-(4-Bromophenoxy)butanoic acidHCID 2734316Bis(neopentyl glycolato)diboron

Produkt 1

HCID 57842761HCID 57842761, Verbindung

Reagenzien, Katalysatoren, Lösungsmittel 2

HCID 53485975
CID 53485975
Katalysator
HCID 679Dimethyl SulfoxideLösungsmittel

Reaktionsbedingungen

Temperatur
80 °C

Versuchsvorschrift

A resealable tube was charged with 4-(4-bromophenoxy)butyric acid (259 mg, 1.0 mmol), 5,5,5′,5′-Tetramethyl-[2,2′]bi[[1,3,2]dioxaborinanyl] (249 mg, 1.1 mmol), potassium acetate (245 mg, 2.5 mmol), and DMSO (2 mL). The resulting orange suspension was deoxygenated by sparging with nitrogen gas. Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane adduct (30 mg, 0.041 mmol) was added, and the tube was sealed tightly and heated at 80° C. overnight. Hydrochloric acid (1N) was added, and the mixture was extracted with EtOAc (2×), washed with water (2×) and brine (1×), and dried (MgSO4). The organic layer was concentrated in vacuo and the residue purified by flash chromatography (0 to 15% MeOH in DCM) to give the 2,2-dimethyl-1,3-propanediol boronic ester of 1A. This material was dissolved in diethyl ether and washed with NaOH (2 N, 2×). The aqueous layers were washed with diethyl ether, combined, and acidified to pH 4 with hydrochloric acid (6 N). The resulting solid precipitate was collected by filtration to afford 1A (210 mg, 94%) as a beige solid. 1H NMR (400 MHz, CD3OD) δ 2.06 (m, 2H), 2.48 (t, J=7.5 Hz, 2H), 4.02 (t, J=6.6 Hz, 2H), 6.88 (br s, 2H), 7.62 (br d, 2H).

Aufarbeitung

  1. customThe resulting orange suspension was deoxygenated
  2. customby sparging with nitrogen gas
  3. customthe tube was sealed tightly
  4. extractionthe mixture was extracted with EtOAc (2×)
  5. washwashed with water (2×) and brine (1×)
  6. dry with materialdried (MgSO4)
  7. concentrationThe organic layer was concentrated in vacuo
  8. customthe residue purified by flash chromatography (0 to 15% MeOH in DCM)

Quellen und Nachweise

ORD-Eintrag
ord-d207d22bc7cb4a3aaec719da1e975b42
Quelldatensatz
uspto-grants-2009_09
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US07592331B2

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