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(S)-Ethyl 3-(4-aminophenyl)-2-((tert-butoxycarbonyl)amino)propanoate → HCID 69331402, Verbindung

HRID 1837041
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Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 1837041
C(OC(=O)[C@@H](NC(OC(C)(C)C)=O)CC1C=CC(N)=CC=1)C.CO.C(Cl)Cl.[CH2:28]([O:30][C:31](=[O:59])[C@@H:32]([NH:51]C(OC(C)(C)C)=O)[CH2:33][C:34]1[CH:39]=[CH:38][C:37]([NH:40][C:41]2[C:50]3[C:45](=[CH:46][CH:47]=[N:48][CH:49]=3)[CH:44]=[CH:43][N:42]=2)=[CH:36][CH:35]=1)[CH3:29]>C(OC(O)C)C>[C:41]1([NH:40][C:37]2[CH:36]=[CH:35][C:34]([CH2:33][C@H:32]([NH2:51])[C:31]([O:30][CH2:28][CH3:29])=[O:59])=[CH:39][CH:38]=2)[C:50]2[C:45](=[CH:46][CH:47]=[N:48][CH:49]=2)[CH:44]=[CH:43][N:42]=1
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Komponenten

5

Edukt 3

HCID 10638537(S)-Ethyl 3-(4-aminophenyl)-2-((tert-butoxycarbonyl)amino)propanoateHCID 21226129Dichloromethane methanolHCID 68468681HCID 68468681, Verbindung

Produkt 1

HCID 69331402HCID 69331402, Verbindung

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 101298981-EthoxyethanolLösungsmittel

Versuchsvorschrift

A solution of ethyl-(S)-3-[4-aminophenyl]-2-[t-butoxycarbonylamino]propanoate (638 mg, 2.07 mmol) and Intermediate 12 (310 mg, 1.88 mmol) in ethoxyethanol (2 ml) was stirred at 120° for 15 min and at 100° for 1 h under nitrogen. The volatiles were removed in vacuo and the dark residue partitioned between EtOAc (70 ml) and saturated aqueous NaHCO3 (10 ml). The phases were separated and the aqueous layer re-extracted with EtOAc (2×30 ml). The combined organic extracts were washed with brine (10 ml), dried (Na2SO4) and evaporated in vacuo to afford a dark foam. Chromatography (SiO2; 5 to 10% MeOH/DCM) afforded a mixture of ethyl-(S)-3-[4-(2,7-naphthyridin-1-ylamino)phenyl]-2-[(t-butoxycarbonyl)amino]propanoate and some of the title compound (730 mg). This mixture was treated with a solution of trifluoroacetic acid (5 ml) and DCM (5 ml) at room temperature for 1 h. The volatiles were removed in vacuo and the residue partitioned between EtOAc (75 ml) and saturated aqueous NaHCO3 (20 ml). The phases were separated and the aqueous layer re-extracted with EtOAc (3×30 ml). The combined organic extracts were washed with brine (10 ml), dried (Na2SO4) and evaporated in vacuo to afford an orange solid. Chromatography (silica; 10% MeOH/DCM) afforded the title compound as a straw-coloured solid (420 mg, 60% over two steps). δ H (CDCl3) 10.70 (1H, s), 10.31 (1H, s), 9.44 (1H, d, J 5.6 Hz), 8.94 (1H, d, J 5.6 Hz), 8.55 (1H, d, J 7.3 Hz), 8.54 (2H, d, J 8.5 Hz), 8.46 (1H, d, J 5.6 Hz), 7.94 (2H, d, J 8.5 Hz), 4.84 (2H, q, J 7.1 Hz), 4.35 (1H, t, J 6.6 Hz), 4.10 (2H, br, s), 3.64 (1H, dd, J 13.5, 6.4 Hz), 3.56 (1H, dd, J 13.5, 7.0 Hz) and 1.95 (3H, t, J 7.1 Hz); m/z (ES+, 70V) 337 (MH+).

Aufarbeitung

  1. customThe volatiles were removed in vacuo
  2. customthe dark residue partitioned between EtOAc (70 ml) and saturated aqueous NaHCO3 (10 ml)
  3. customThe phases were separated
  4. extractionthe aqueous layer re-extracted with EtOAc (2×30 ml)
  5. washThe combined organic extracts were washed with brine (10 ml)
  6. dry with materialdried (Na2SO4)
  7. customevaporated in vacuo
  8. customto afford a dark foam

Quellen und Nachweise

ORD-Eintrag
ord-c92da85d9a694273ace6396f6fca4758
Quelldatensatz
uspto-grants-2004_08
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US06780874B2

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