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4-Bromo-3-methoxybenzoic acid → 4-Ethyl-3-methoxybenzoic acid

HRID 1405381
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 1405381
Br[C:2]1[CH:10]=[CH:9][C:5]([C:6]([OH:8])=[O:7])=[CH:4][C:3]=1[O:11][CH3:12].[Zn](CC)[CH2:14][CH3:15]>O1CCOCC1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.Cl[Pd]Cl.[Fe+2]>[CH2:14]([C:2]1[CH:10]=[CH:9][C:5]([C:6]([OH:8])=[O:7])=[CH:4][C:3]=1[O:11][CH3:12])[CH3:15]
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

5

Edukt 2

HCID 162158674-Bromo-3-methoxybenzoic acidHCID 178418750HCID 178418750, Verbindung

Produkt 1

HCID 299406594-Ethyl-3-methoxybenzoic acid

Reagenzien, Katalysatoren, Lösungsmittel 2

HCID 44119782Bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);dichloropalladium;iron(2+)KatalysatorHCID 312751,4-DioxaneLösungsmittel

Reaktionsbedingungen

Temperatur
70 °C

Versuchsvorschrift

A mixture of 4-bromo-3-methoxy-benzoic acid (2.49 g, 10.9 mmol) and Pd(dppf)Cl2 (158 mg, 0.216 mmol) were stirred in dioxane (25 mL) and Et2Zn (22 mL, 1 M in hexanes, 22 mmol) was added. The reaction mixture was heated at 70° C. for 1 h. The mixture was cooled to room temperature and was quenched with MeOH (1.1 mL). The solution was diluted with ethyl acetate (20 mL) and was washed with 1 N HCl (10 mL). The combined organics were washed with brine, dried over sodium sulfate and evaporated to dryness to give 4-ethyl-3-methoxybenzoic acid. ESI-MS m/z calc. 180.1, found 179.1 (M−1)−; Retention time: 1.77 minutes (3 min run).

Aufarbeitung

  1. temperatureThe mixture was cooled to room temperature
  2. customwas quenched with MeOH (1.1 mL)
  3. additionThe solution was diluted with ethyl acetate (20 mL)
  4. washwas washed with 1 N HCl (10 mL)
  5. washThe combined organics were washed with brine
  6. dry with materialdried over sodium sulfate
  7. customevaporated to dryness

Quellen und Nachweise

ORD-Eintrag
ord-8f400675196540778e417aeee47a6d2f
Quelldatensatz
uspto-grants-2014_12
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US08916565B2

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