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Acetic Acid → 3-[(S)-1-(4-Bromo-2-methyl-phenyl)-ethyl]-(R)-6-(2-methyl-allyl)-6-phenyl-[1,3]oxazinan-2-one

HRID 470568
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Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 470568
C[Si](C)(C)[N-][Si](C)(C)C.[Li+].Cl[CH2:12][CH2:13][C:14]([C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1)([OH:19])[CH2:15][C:16]([CH3:18])=[CH2:17].[Br:26][C:27]1[CH:32]=[CH:31][C:30]([C@@H:33]([N:35]=[C:36]=[O:37])[CH3:34])=[C:29]([CH3:38])[CH:28]=1.C(O)(=O)C>O1CCCC1.O>[Br:26][C:27]1[CH:32]=[CH:31][C:30]([C@@H:33]([N:35]2[CH2:12][CH2:13][C@:14]([CH2:15][C:16]([CH3:18])=[CH2:17])([C:20]3[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=3)[O:19][C:36]2=[O:37])[CH3:34])=[C:29]([CH3:38])[CH:28]=1
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Komponenten

7

Edukt 4

HCID 176Acetic AcidHCID 2733832Lithium hexamethyldisilazaneHCID 595323881-Chlor-5-methyl-3-phenylhex-5-en-3-olHCID 86649417(S)-4-bromo-1-(1-isocyanato-ethyl)-2-methyl-benzene

Produkt 1

HCID 581023693-[(S)-1-(4-Bromo-2-methyl-phenyl)-ethyl]-(R)-6-(2-methyl-allyl)-6-phenyl-[1,3]oxazinan-2-one

Reagenzien, Katalysatoren, Lösungsmittel

2
HCID 962WaterLösungsmittelHCID 8028TetrahydrofuranLösungsmittel

Versuchsvorschrift

Lithium hexamethyldisilazide (1 mol/L in tetrahydrofuran, 18.7 mL) was added dropwise (at such a rate that the solution temperature maintains below 25° C.) to a solution of 1-chloro-5-methyl-3-phenyl-hex-5-en-3-ol (3.82 g) and (S)-4-bromo-1-(1-isocyanato-ethyl)-2-methyl-benzene (4.49 g) in tetrahydrofuran (140 mL) chilled in an ice bath. The solution was stirred in the cooling bath for 30 min and at room temperature for another 60 min. Then acetic acid (1.9 mL) in water (40 mL) was slowly added to the reaction mixture. The resulting mixture was concentrated under reduced pressure and the residue was taken up in tert-butyl methyl ether. The resulting solution was washed with water, dried (MgSO4), and concentrated. The residue was submitted to chromatography on silica gel (cyclohexane/ethyl acetate 90:10→40:60) to afford the title compound as a colorless solid. Besides the title compound a diastereomer thereof, 3-[(S)-1-(4-bromo-2-methyl-phenyl)-ethyl]-6-(S)-(2-methyl-allyl)-6-phenyl-[1,3]oxazinan-2-one, was isolated as an oil {1.55 g, Mass spectrum (ESI+): m/z=428/430 (Br) [M+H]+}. Yield: 1.34 g (18% of theory); Mass spectrum (ESI+): m/z=428/430 (Br) [M+H]+; 1H NMR (400 MHz, DMSO-d6) 1.40 (d, J=6.8 Hz, 3H), 1.53 (s, 3H), 1.71 (s, 3H), 1.81-190 (m, 1H), 1.98-2.08 (m, 1H), 2.43-ca. 2.51 (m, 3H), 2.86-2.94 (m, 1H), 4.58 (hardly resolved m, 1H), 4.77 (hardly resolved m, 1H), 5.30 (q, J=6.8 Hz, 1H), 7.15-7.19 (m, 2H), 7.24-7.35 (m, 6H). The assignment of the stereogenic centers of the title compound is based on the comparison of the 1H NMR data with the data of the known analog 3-[(S)-1-(4-bromo-phenyl)-ethyl]-(R)-6-(2-methyl-allyl)-6-phenyl-[1,3]oxazinan-2-one.

Aufarbeitung

  1. custommaintains below 25° C.
  2. temperaturechilled in an ice bath
  3. concentrationThe resulting mixture was concentrated under reduced pressure
  4. washThe resulting solution was washed with water
  5. dry with materialdried (MgSO4)
  6. concentrationconcentrated

Quellen und Nachweise

ORD-Eintrag
ord-b4944f1cd735428e80eff9b0561e0e3a
Quelldatensatz
uspto-grants-2014_01
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US08629138B2

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