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Chlorotrimethylsilane → N-[(2E)-3-Cyclohexyl-2-propenoyl]-3,5-difluorophenylalanine

HRID 751766
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 751766
Cl[Si](C)(C)C.[F:6][C:7]1[CH:8]=[C:9]([CH:16]=[C:17]([F:19])[CH:18]=1)[CH2:10][CH:11]([C:13]([OH:15])=[O:14])[NH2:12].C(N(C(C)C)C(C)C)C.[CH:29]1(/[CH:35]=[CH:36]/[C:37](Cl)=[O:38])[CH2:34][CH2:33][CH2:32][CH2:31][CH2:30]1>ClCCl>[CH:29]1(/[CH:35]=[CH:36]/[C:37]([NH:12][C@H:11]([C:13]([OH:15])=[O:14])[CH2:10][C:9]2[CH:8]=[C:7]([F:6])[CH:18]=[C:17]([F:19])[CH:16]=2)=[O:38])[CH2:34][CH2:33][CH2:32][CH2:31][CH2:30]1
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

6

Edukt 4

HCID 6397ChlorotrimethylsilaneHCID 81531DiisopropylethylamineHCID 27370453,5-DifluorophenylalanineHCID 12542153(E)-3-cyclohexylacryloyl chloride

Produkt 1

HCID 69307058N-[(2E)-3-Cyclohexyl-2-propenoyl]-3,5-difluorophenylalanineAusbeute 26 %

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 6344
Dichloromethane
Lösungsmittel

Reaktionsbedingungen

Temperatur
0 °C

Versuchsvorschrift

6.3 ml (49.7 mmol) of chlorotrimethylsilane are added to a solution of 5.0 g (24.9 mmol) of 3,5-difluoro-DL-phenylalanine in dichloromethane (150 ml) and the reaction mixture is heated to reflux for 1 h. After cooling to 0° C., 9.7 ml (55.9 mmol) of ethyldiisopropylamine are slowly added and then, dropwise, 4.29 g (24.9 mmol) of trans-3-cyclohexyl-2-propenoyl chloride. The reaction mixture is stirred overnight with slow warming to RT and remains standing at RT for two days. For working up, the mixture is evaporated to dryness in vacuo, the residue is taken up using diethyl ether and extracted with 2.5 pc. aq. sodium hydrogencarbonate solution (250 ml). The aqueous phase is extracted twice with diethyl ether. The combined organic phases are extracted a further three times with sodium hydrogencarbonate solution. The combined aqueous phases are brought to pH=2 using 1N aqueous hydrochloric acid and extracted three times with ethyl acetate. The combined ethyl acetate phases are dried over sodium sulfate, filtered, and the solvent is concentrated in vacuo. The residue (4.63 g) is washed by stirring with diethyl ether and filtered. 3.64 g (43% of th.) of colorless solid are obtained. The residue from the concentrated mother liquor and the residue from the concentrated diethyl ether phase of the alkaline extraction (see above), are taken up together in ethyl acetate and extracted with 1N hydrochloric acid. The organic phase is dried over sodium sulfate, filtered and concentrated. The residue is washed by stirring with diethyl ether and filtered off with suction. A further 2.18 g (26%) of product are isolated.

Aufarbeitung

  1. temperaturethe reaction mixture is heated
  2. temperatureto reflux for 1 h
  3. temperaturewith slow warming to RT
  4. waitremains standing at RT for two days
  5. customthe mixture is evaporated to dryness in vacuo
  6. extractionextracted with 2.5 pc
  7. extractionThe aqueous phase is extracted twice with diethyl ether
  8. extractionThe combined organic phases are extracted a further three times with sodium hydrogencarbonate solution
  9. extractionextracted three times with ethyl acetate
  10. dry with materialThe combined ethyl acetate phases are dried over sodium sulfate
  11. filtrationfiltered
  12. concentrationthe solvent is concentrated in vacuo
  13. washThe residue (4.63 g) is washed
  14. stirringby stirring with diethyl ether
  15. filtrationfiltered
  16. custom3.64 g (43% of th.) of colorless solid are obtained
  17. extractionThe residue from the concentrated mother liquor and the residue from the concentrated diethyl ether phase of the alkaline extraction (see above)
  18. extractionextracted with 1N hydrochloric acid
  19. dry with materialThe organic phase is dried over sodium sulfate
  20. filtrationfiltered
  21. concentrationconcentrated
  22. washThe residue is washed
  23. stirringby stirring with diethyl ether
  24. filtrationfiltered off with suction

Quellen und Nachweise

ORD-Eintrag
ord-05e8083a32364374af83a7d30d6d2d16
Quelldatensatz
uspto-grants-2008_07
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US07405201B2

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