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Butanoic acid, 4-chloro-4-oxo-, methyl ester → HCID 178500572, Verbindung

HRID 584135
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 584135
[OH:1][NH:2][C:3]([C:5]1[CH:6]=[C:7]([NH:11][C:12](=[O:18])[O:13][C:14]([CH3:17])([CH3:16])[CH3:15])[CH:8]=[CH:9][CH:10]=1)=[NH:4].C(N(C(C)C)CC)(C)C.[C:28]([CH2:32][CH2:33][C:34](Cl)=[O:35])([O:30][CH3:31])=[O:29]>C1COCC1>[C:14]([O:13][C:12]([NH:11][C:7]1[CH:6]=[C:5]([CH:10]=[CH:9][CH:8]=1)[C:3]([NH:2][O:1][C:34](=[O:35])[CH2:33][CH2:32][C:28]([O:30][CH3:31])=[O:29])=[NH:4])=[O:18])([CH3:15])([CH3:17])[CH3:16]
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

5

Edukt 3

HCID 73888Butanoic acid, 4-chloro-4-oxo-, methyl esterHCID 81531DiisopropylethylamineHCID 178452725HCID 178452725, Verbindung

Produkt 1

HCID 178500572HCID 178500572, Verbindung

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 8028TetrahydrofuranLösungsmittel

Reaktionsbedingungen

Temperatur
0 °C

Versuchsvorschrift

A 50-mL, one-neck, round bottomed flask equipped with a magnetic stirrer and a digital thermometer was charged with tert-butyl [3-(N-hydroxycarbamimidoyl)phenyl]carbamate (5.56 g, 22.1 mmol), diisopropylethylamine (4.29 g, 33.2 mmol) and THF (25 mL). The reaction mixture was then cooled to 0° C. in an ice/salt bath. 3-Carbomethoxypropionyl chloride (3.99 g, 26.6 mmol) was then added dropwise to the reaction mixture. Once the addition was complete, the cooling bath was removed and the mixture stirred at room temperature for an additional 3 h. The reaction was then concentrated under reduced pressure, the residue dissolved in ethyl acetate (60 mL), and the resulting solution washed with 2 M aqueous potassium carbonate solution (2×60 mL). Drying over sodium sulfate, filtration and concentration under reduced pressure afforded a quantitative yield of 3-tert-butyloxycarbonylamino-N-(3-carbomethoxypropionyloxy)benzamidine as a white solid that was used directly. 1H NMR (CDCl3) δ (ppm) 7.71 (s, 1H), 7.50 (m, 2H,), 7.33 (m, 2H), 6.58 (bs, 1H), 5.19 (bs, 2H), 3.71 (s, 3H), 2.83 (m, 2H), 2.75 (m, 2H), 1.52 (s, 9H).

Aufarbeitung

  1. customA 50-mL, one-neck, round bottomed flask equipped with a magnetic stirrer
  2. additionOnce the addition
  3. customthe cooling bath was removed
  4. concentrationThe reaction was then concentrated under reduced pressure
  5. dissolutionthe residue dissolved in ethyl acetate (60 mL)
  6. washthe resulting solution washed with 2 M aqueous potassium carbonate solution (2×60 mL)
  7. dry with materialDrying over sodium sulfate, filtration and concentration under reduced pressure

Quellen und Nachweise

ORD-Eintrag
ord-64b69b9b95024525817802d2b1676af5
Quelldatensatz
uspto-grants-2005_08
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US06924284B2

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