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Trimethylboroxine → Methyl 3,4-dimethylthiophene-2-carboxylate

HRID 1508492
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 1508492
I[C:2]1[C:6]([CH3:7])=[CH:5][S:4][C:3]=1[C:8]([O:10][CH3:11])=[O:9].[CH3:12]B1OB(C)OB(C)O1>C1COCC1.[Pd](Cl)Cl.C(P(C(C)(C)C)[C-]1C=CC=C1)(C)(C)C.[C-]1(P(C(C)(C)C)C(C)(C)C)C=CC=C1.[Fe+2]>[CH3:12][C:2]1[C:6]([CH3:7])=[CH:5][S:4][C:3]=1[C:8]([O:10][CH3:11])=[O:9]
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

5

Edukt 2

HCID 574072TrimethylboroxineHCID 2761204Methyl 3-iodo-4-methylthiophene-2-carboxylate

Produkt 1

HCID 18735163Methyl 3,4-dimethylthiophene-2-carboxylate

Reagenzien, Katalysatoren, Lösungsmittel 2

HCID 178454861HCID 178454861, VerbindungKatalysatorHCID 8028TetrahydrofuranLösungsmittel

Versuchsvorschrift

A solution of methyl 3-iodo-4-methylthiophene-2-carboxylate (400 mg, 1.418 mmol), trimethylboroxine (793 μL, 5.67 mmol) and 1,1′-bis(di-tert-butylphosphino)ferrocene palladium dichloride (92 mg, 0.142 mmol) in THF (2363 μL) was degassed by bubbling N2 through the solution. 1N aq. K2CO3 (2363 μL) was added and N2 was bubbled through the mixture for 30 s. The mixture was subjected to microwave irradiation in a sealed tube at 120° C. for 30 min. The reaction mixture was filtered through a plug of silica, eluted with EtOAc and the filtrate was washed with 1N aq. NaOH (2×), dried (Na2SO4) and concentrated in vacuo to afford the crude product. This was purified by flash chromatography (Biotage Horizon, 25M, Si, ˜20 mL/min, 100% hexanes for 144 mL, gradient to 10% EtOAc in hexanes over 1140 mL) to afford methyl 3,4-dimethylthiophene-2-carboxylate.

Aufarbeitung

  1. customby bubbling N2 through the solution
  2. addition1N aq. K2CO3 (2363 μL) was added
  3. customN2 was bubbled through the mixture for 30 s
  4. customirradiation in a sealed tube at 120° C. for 30 min
  5. filtrationThe reaction mixture was filtered through a plug of silica
  6. washeluted with EtOAc
  7. washthe filtrate was washed with 1N aq. NaOH (2×)
  8. dry with materialdried (Na2SO4)
  9. concentrationconcentrated in vacuo
  10. customto afford the crude product
  11. customThis was purified by flash chromatography (Biotage Horizon, 25M, Si, ˜20 mL/min, 100% hexanes for 144 mL, gradient to 10% EtOAc in hexanes over 1140 mL)

Quellen und Nachweise

ORD-Eintrag
ord-9a508379d25c400b817c7fd3f07e4f5e
Quelldatensatz
uspto-grants-2015_12
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US09221834B2

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