StartseiteMCPWorkbenchSkills
StartseiteWorkbenchBenachrichtigungenMein Bereich
llms.txt · MCP-AnleitungDatenschutz · Nutzungsbedingungen · Supportv1.8.0
  1. Startseite
  2. /Reaktion

Acetyl chloride → (2R)-2-(t-butoxycarbonylamino)-2-(4-(2-methylpentyloxy)phenyl)ethyl acetate

HRID 1874618
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 1874618
[OH:1][CH2:2][C@H:3]([NH:17][C:18](=[O:20])[O-:19])[C:4]1[CH:9]=[CH:8][C:7]([O:10][CH2:11][CH:12]([CH3:16])[CH2:13][CH2:14][CH3:15])=[CH:6][CH:5]=1.[CH2:21](N(CC)CC)C.[C:28](Cl)(=[O:30])[CH3:29].O1[CH2:36][CH2:35][CH2:34]C1>CN(C1C=CN=CC=1)C>[C:28]([O:1][CH2:2][C@H:3]([NH:17][C:18]([O:19][C:35]([CH3:34])([CH3:36])[CH3:21])=[O:20])[C:4]1[CH:5]=[CH:6][C:7]([O:10][CH2:11][CH:12]([CH3:16])[CH2:13][CH2:14][CH3:15])=[CH:8][CH:9]=1)(=[O:30])[CH3:29]
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

6

Edukt 4

HCID 6367Acetyl chlorideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 86658394(1R)-2-hydroxy-1-(4-(2-methylpentyloxy)phenyl)ethylcarbamate

Produkt 1

HCID 67086154(2R)-2-(t-butoxycarbonylamino)-2-(4-(2-methylpentyloxy)phenyl)ethyl acetateAusbeute 98 %

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 142844-(Dimethylamino)pyridineKatalysator

Versuchsvorschrift

To a solution of (1R)-2-hydroxy-1-(4-(2-methylpentyloxy)phenyl)ethylcarbamate (5.00 g, 14.82 mmol) and triethylamine (10.33 mL, 74.1 mmol) in tetrahydrofuran (50 mL) at 0° C. was added DMAP (1.99 g, 16.30 mmol). Acetyl chloride (4.21 mL, 59.3 mmol) was then added slowly via syringe. After the addition was complete, the cooling bath was removed and the mixture was stirred at room temperature under N2 for 2 h. The reaction mixture was transferred to a separatory funnel containing saturated aqueous NaHCO3 solution (50 mL). The aqueous layer was extracted with ethyl acetate (3×100 mL). The combined organic layers were washed with brine (50 mL), dried over MgSO4, filtered and concentrated. The residue was purified by column chromatography on silica gel (15%→25% ethyl acetate in hexanes) to afford (2R)-2-(tert-butoxycarbonylamino)-2-(4-(2-methylpentyloxy)phenyl)ethyl acetate (5.50 g, 98% yield) as a colorless amorphous solid: 1H NMR (400 MHz, DMSO-d6) δ 7.44 (d, J=9.1 Hz, 1H), 7.23 (d, J=8.8 Hz, 2H), 6.88 (d, J=8.6 Hz, 2H), 4.67-4.78 (m, 1H), 4.10 (dd, J=10.8, 5.3 Hz, 1H), 3.98 (dd, J=10.6, 9.1 Hz, 1H), 3.80 (dd, J=9.6, 6.0 Hz, 1H), 3.71 (dd, J=9.3, 6.8 Hz, 1H), 1.97 (s, 3H), 1.86 (dq, J=12.8, 6.5 Hz, 1H), 1.37 (s, 9 H), 1.22-1.47 (m, 3H), 1.11-1.22 (m, 1H), 0.96 (d, J=6.8 Hz, 3H), 0.88 (t, J=7.2 Hz, 3H); LRMS (ESI) m/e 380.3 [(M+H)+, calcd for C21H34NO5 380.3].

Aufarbeitung

  1. additionAfter the addition
  2. customthe cooling bath was removed
  3. customThe reaction mixture was transferred to a separatory funnel
  4. additioncontaining saturated aqueous NaHCO3 solution (50 mL)
  5. extractionThe aqueous layer was extracted with ethyl acetate (3×100 mL)
  6. washThe combined organic layers were washed with brine (50 mL)
  7. dry with materialdried over MgSO4
  8. filtrationfiltered
  9. concentrationconcentrated
  10. customThe residue was purified by column chromatography on silica gel (15%→25% ethyl acetate in hexanes)

Quellen und Nachweise

ORD-Eintrag
ord-7b0ba9d2d7cf461298cb70e6ad3414e1
Quelldatensatz
uspto-grants-2012_11
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US08304577B2

Notizen zur Reaktion

Wird geladen…

Auf dieser SeiteKomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion