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Dipropylamine → Methyl 3-[(dipropylamino)carbonyl]-5-nitrobenzoate

HRID 13998
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 13998
C(C1NC=CN=1)(C1NC=CN=1)=O.[N+:13]([C:16]1[CH:17]=[C:18]([C:26]([O-:28])=O)[CH:19]=[C:20]([CH:25]=1)[C:21]([O:23][CH3:24])=[O:22])([O-:15])=[O:14].[CH2:29]([NH:32][CH2:33][CH2:34][CH3:35])[CH2:30][CH3:31]>C1COCC1>[CH2:29]([N:32]([CH2:33][CH2:34][CH3:35])[C:26]([C:18]1[CH:19]=[C:20]([CH:25]=[C:16]([N+:13]([O-:15])=[O:14])[CH:17]=1)[C:21]([O:23][CH3:24])=[O:22])=[O:28])[CH2:30][CH3:31]
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

5

Edukt 3

HCID 8902DipropylamineHCID 5250894Bis-(1H-imidazol-2-YL)-methanoneHCID 6931682Monomethyl-5-nitroisophthalate

Produkt 1

HCID 690570Methyl 3-[(dipropylamino)carbonyl]-5-nitrobenzoate

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 8028TetrahydrofuranLösungsmittel

Versuchsvorschrift

Carbonyl diimidazole (3.90 g, 24.0 mmol) is added to a mixture of mono-methyl 5-nitro-isophthalate (XXVIII, 4.50 g, 20.0 mmol) in dry THF (50 mL). The mixture is stirred for 0.5 hours. Dipropylamine (3.28 mL, 24.0 mmol) is added slowly to the mixture. The reaction mixture is then stirred for 4 hours. The solvent is removed under reduced pressure and the mixture is partitioned between ethyl acetate and water. The organic phase is separated and washed with saline, dried over anhydrous sodium sulfate, filtered, and concentrated. Column chromatography (silica gel; ethyl acetate/hexanes, 15/85) gives the title compound, NMR (300 MHz, CDCl3) delta 8.88, 8.41, 8.35, 4.00, 3.48, 3.15, 1.72, 1.57, 1.00 and 0.77; MS (ESI+) for C15H20N2O5 m/z (M+H)+=309.2.

Aufarbeitung

  1. stirringThe reaction mixture is then stirred for 4 hours
  2. customThe solvent is removed under reduced pressure
  3. customthe mixture is partitioned between ethyl acetate and water
  4. customThe organic phase is separated
  5. washwashed with saline
  6. dry with materialdried over anhydrous sodium sulfate
  7. filtrationfiltered
  8. concentrationconcentrated

Quellen und Nachweise

ORD-Eintrag
ord-8a9ee427b1b346a0bfc540401dbd6c0f
Quelldatensatz
uspto-grants-2010_06
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US07727997B2

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