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Iodine → Methyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate

HRID 2408942
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Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 2408942
II.[CH3:3][O:4][C:5](=[O:17])[C@H:6]([NH:9][C:10]([O:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:11])[CH2:7][I:8].C1(P(C2CCCCC2)C2C=CC=CC=2C2C(OC)=CC=CC=2OC)CCCCC1.BrC1CCCC=1>CN(C=O)C.[Zn].C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.[Pd].[Pd].C(Cl)Cl>[CH3:3][O:4][C:5](=[O:17])[CH:6]([NH:9][C:10]([O:12][C:13]([CH3:15])([CH3:14])[CH3:16])=[O:11])[CH2:7][I:8]
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

9

Edukt 4

HCID 807Iodine2×HCID 109646601-Bromocyclopent-1-eneHCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenylHCID 11416215(S)-Methyl 2-Boc-amino-3-iodopropionate

Produkt 1

HCID 5051066Methyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoateAusbeute 30 %

Reagenzien, Katalysatoren, Lösungsmittel 4

HCID 23994ZincKatalysatorHCID 9811564Bis(dibenzylideneacetone)palladiumKatalysatorHCID 6228DimethylformamideLösungsmittel2×HCID 6344DichloromethaneLösungsmittel

Versuchsvorschrift

To a three necked flask charged with zinc dust (2.23 g, 34.1 mmol) under an N2 atmosphere DMF (13 mL) was added. The suspension was efficiently stirred and I2 (0.20 g, 0.80 mmol) was added. ((S)-2-[(tert-Butoxycarbonyl)amino]-3-iodopropionic acid methyl ester (4.50 g, 13.7 mmol) was added in one portion, and immediately after more I2 (0.20 g, 0.80 mmol) and the stirring was continued for 2 h. Negishi coupling was then effected by addition in direct sequence of: Pd2 dba3 (315 mg, 0.34 mmol), 2-dicyclohexylphosphino-2′,6′-dimethoxybiphenyl (279 mg, 0.68 mmol), and 1-bromocyclopentene (2.32 g, 15.8 mmol) in DMF (4 mL). The reaction was stirred over night. DCM (25 mL) was added and the mixture was filtered, the solids were washed with further DCM, water (30 mL) was added and the phases were separated. The aqueous phase was extracted with DCM (2×20 mL) and the combined organic phases were washed with H2O (20 mL), dried MgSO4, filtered and evaporated. The residue was purified by gradient silica gel chromatography (4-16% EtOAc in iso-hexane) which gave the title compound 1.24 g (30%). GC-MS EI m/z 213 (w), 196 (w), 152, 88, 57, 41.

Aufarbeitung

  1. additionwas added
  2. stirringThe reaction was stirred over night
  3. filtrationthe mixture was filtered
  4. washthe solids were washed with further DCM, water (30 mL)
  5. additionwas added
  6. customthe phases were separated
  7. extractionThe aqueous phase was extracted with DCM (2×20 mL)
  8. washthe combined organic phases were washed with H2O (20 mL), dried MgSO4
  9. filtrationfiltered
  10. customevaporated
  11. customThe residue was purified by gradient silica gel chromatography (4-16% EtOAc in iso-hexane) which

Quellen und Nachweise

ORD-Eintrag
ord-1178c3e4b5f640458f74fddce870fbbc
Quelldatensatz
uspto-grants-2014_08
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US08815809B2

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