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Iodoethane → 1-ethyl-2-pyridin-3-yl-1H-indole-3-carbonitrile

HRID 593562
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 593562
[C:1]([CH2:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[NH:10][C:11](=O)[C:12]1[CH:17]=[CH:16][CH:15]=[N:14][CH:13]=1)#[N:2].C([O-])([O-])=O.[Cs+].[Cs+].I[CH2:26][CH3:27]>CN(C=O)C>[CH2:26]([N:10]1[C:5]2[C:4](=[CH:9][CH:8]=[CH:7][CH:6]=2)[C:3]([C:1]#[N:2])=[C:11]1[C:12]1[CH:13]=[N:14][CH:15]=[CH:16][CH:17]=1)[CH3:27]
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

5

Edukt 3

HCID 6340IodoethaneHCID 10796Cesium carbonateHCID 59534663N-(2-cyanomethyl-phenyl)-nicotinamide

Produkt 1

HCID 582157761-ethyl-2-pyridin-3-yl-1H-indole-3-carbonitrile

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 6228DimethylformamideLösungsmittel2×

Reaktionsbedingungen

Temperatur
100 °C

Versuchsvorschrift

To a solution of N-(2-cyanomethyl-phenyl)-nicotinamide (Example 83a, 400 mg, 1.69 mmol) in DMF (17 mL) is added Cs2CO3 (1.1 g, 3.37 mmol). The reaction is heated to 80° C., at which time a solution of iodoethane (0.14 mL, 1.75 mmol) in DMF (5 mL) is added over 75 min. The temperature is then increased to 100° C. After stirring for an additional 2 h, the reaction is cooled to room temperature and quenched with saturated aqueous NH4Cl, and diluted with ethyl acetate and water. The layers are separated and the aqueous layer is extracted with ethyl acetate. The combined organic extracts are dried over sodium sulfate, filtered, and concentrated. The resulting residue is purified by silica gel flash chromatography (ethyl acetate-heptane, 3:10 to 1:0) to furnish 1-ethyl-2-pyridin-3-yl-1H-indole-3-carbonitrile. 1H NMR (400 MHz, CDCl3) δ ppm 1.40 (t, J=7.2 Hz, 3H), 4.22 (q, J=7.2 Hz, 2H), 7.32-7.45 (m, 2H), 7.47-7.51 (m, 1H), 7.54 (dd, J=7.8, 5.6 Hz, 1H), 7.82 (d, J=7.8 Hz, 1H), 7.91-7.98 (m, 1H), 8.78-8.85 (m, 2H). HRMS (ESI) m/z 248.1190 [(M+H)+ Calcd for C16H14N3: 248.1188].

Aufarbeitung

  1. additionis added over 75 min
  2. temperaturethe reaction is cooled to room temperature
  3. customquenched with saturated aqueous NH4Cl
  4. additiondiluted with ethyl acetate and water
  5. customThe layers are separated
  6. extractionthe aqueous layer is extracted with ethyl acetate
  7. dry with materialThe combined organic extracts are dried over sodium sulfate
  8. filtrationfiltered
  9. concentrationconcentrated
  10. customThe resulting residue is purified by silica gel flash chromatography (ethyl acetate-heptane, 3:10 to 1:0)

Quellen und Nachweise

ORD-Eintrag
ord-a481a7908c7f4657b643cab9c863535b
Quelldatensatz
uspto-grants-2016_01
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US09242963B2

Notizen zur Reaktion

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