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Methyl iodide → [1-(3-Chloro-4-cyano-2-methylphenyl)-3-methyl-2,5-dioxoimidazolidin-4-ylmethyl]carbamic Acid tert-butyl Ester

HRID 853821
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Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 853821
[C:1]([O:5][C:6](=[O:26])[NH:7][CH2:8][CH:9]1[C:13](=[O:14])[N:12]([C:15]2[CH:20]=[CH:19][C:18]([C:21]#[N:22])=[C:17]([Cl:23])[C:16]=2[CH3:24])[C:11](=[O:25])[NH:10]1)([CH3:4])([CH3:3])[CH3:2].[CH3:27][Si]([N-][Si](C)(C)C)(C)C.[K+].IC>CN(C=O)C.O>[C:1]([O:5][C:6](=[O:26])[NH:7][CH2:8][CH:9]1[C:13](=[O:14])[N:12]([C:15]2[CH:20]=[CH:19][C:18]([C:21]#[N:22])=[C:17]([Cl:23])[C:16]=2[CH3:24])[C:11](=[O:25])[N:10]1[CH3:27])([CH3:4])([CH3:2])[CH3:3]
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Komponenten

6

Edukt 3

HCID 6328Methyl iodideHCID 3251421Potassium bis(trimethylsilyl)amideHCID 69517337HCID 69517337, Verbindung

Produkt 1

HCID 69515564[1-(3-Chloro-4-cyano-2-methylphenyl)-3-methyl-2,5-dioxoimidazolidin-4-ylmethyl]carbamic Acid tert-butyl EsterAusbeute 58,6 %

Reagenzien, Katalysatoren, Lösungsmittel 2

HCID 962
Water
Lösungsmittel
HCID 6228DimethylformamideLösungsmittel

Versuchsvorschrift

To a solution of the hydantoin 13A (1.00 g, 2.64 mmol) in DMF (10 mL) was added KHMDS (530 mg, 2.64 mmol) followed by iodomethane (0.16 mL, 2.64 mmol) and the resulting solution was stirred at rt for 2 h. The solution was then diluted with water and extracted with EtOAc. The organic layer was washed with water and brine, dried (MgSO4), filtered and concentrated under reduced pressure. The residue was purified by flash chromatography (silica gel, CH2Cl2/CH3OH, 100:0 to 80:20 gradient) to afford the title compound (608 mg) as a white foam. 1H NMR (CDCl3) δ 1.41, 1.43 (s, 9H), 2.26, 2.28 (s, 3H), 3.11, 3.12 (s, 3H), 3.60-3.86 (m, 2H), 4.08-4.12 (m, 1H), 4.77, 4.83 (br s, 1H), 7.16, 7.20 (d, J=8.3 Hz, 1H), 7.60, 7.61 (d, J=8.3 Hz, 1H); HPLC a) column: Phenominex C18 4.6×50 mm, 4 min gradient, 10% MeOH/90% H2O/0.1% TFA to 90% MeOH/10% H2O/0.1% TFA, 1 min hold, 4 mL/min, UV detection at 220 nm, 3.05 min retention time; HPLC b) column: Shimadzu Shim-Pack VP-ODS C18 4.6×50 mm, 4 min gradient, 10% MeOH/90% H2O/0.1% TFA to 90% MeOH/10% H2O/0.1% TFA, 1 min hold, 4 mL/min, UV detection at 220 nm, 2.86, 2.96 min retention time (98%); HPLC c) column: Daicel Chiralcel OD 4.6×250 mm, Isocratic 25% isopropanol/hexanes, 30 min, 1 mL/min, UV detection at 220 nm, 14.40 min retention time (97%); MS (ES) m/z 391 [M−H]−.

Aufarbeitung

  1. extractionextracted with EtOAc
  2. washThe organic layer was washed with water and brine
  3. dry with materialdried (MgSO4)
  4. filtrationfiltered
  5. concentrationconcentrated under reduced pressure
  6. customThe residue was purified by flash chromatography (silica gel, CH2Cl2/CH3OH, 100:0 to 80:20 gradient)

Quellen und Nachweise

ORD-Eintrag
ord-fc2fcbc3671d446bb6020f1923559fde
Quelldatensatz
uspto-grants-2007_08
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US07256208B2

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