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Triethylamine → 4-(4-(2-Tert-butyl-phenyl)piperazin-1-yl)-4-oxobutanenitrile

HRID 534915
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 534915
[C:1]([CH2:3][CH2:4][C:5]([OH:7])=O)#[N:2].C(Cl)(=O)C(Cl)=O.[C:14]([C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=1[N:24]1[CH2:29][CH2:28][NH:27][CH2:26][CH2:25]1)([CH3:17])([CH3:16])[CH3:15].C(N(CC)CC)C.C(CCC(Cl)=O)#N>CN(C=O)C.C1COCC1.C(Cl)Cl>[C:14]([C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=1[N:24]1[CH2:29][CH2:28][N:27]([C:5](=[O:7])[CH2:4][CH2:3][C:1]#[N:2])[CH2:26][CH2:25]1)([CH3:17])([CH3:15])[CH3:16]
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

9

Edukt 5

HCID 8471TriethylamineHCID 65578Oxalyl chlorideHCID 2630863-Cyanopropanoic acidHCID 128357153-Cyanopropanoyl chlorideHCID 469416591-(2-Tert-butylphenyl)piperazine

Produkt 1

HCID 667510584-(4-(2-Tert-butyl-phenyl)piperazin-1-yl)-4-oxobutanenitrile
Ausbeute 57 %

Reagenzien, Katalysatoren, Lösungsmittel 3

HCID 6228DimethylformamideKatalysatorHCID 6344DichloromethaneLösungsmittel3×HCID 8028TetrahydrofuranLösungsmittel

Versuchsvorschrift

To a stirred solution at 0° C. of provide 3-cyanopropanoic acid (0.110 g, 1.11 mmol) and DMF (2 drops) in THF (4.0 mL) was added oxalyl chloride (0.144 g, 1.13 mmol) dropwise and the reaction mixture was warmed to room temperature. After 1 h the reaction mixture was concentrated under reduced pressure. To a stirred solution at 0° C. of 1-(2-tert-butylphenyl)piperazine (0.218 g, 1.00 mmol) and triethylamine (0.303 g, 3.00 mmol) in methylene chloride (2.0 mL) was added a solution of the freshly prepared 3-cyanopropanoyl chloride in methylene chloride (2.0 mL) and the reaction mixture was warmed to room temperature. After 2 h the reaction mixture was diluted with methylene chloride (10.0 mL), washed with water (20.0 mL), dried (Na2SO4), filtered and concentrated under reduced pressure. The residue was purified by flash column chromatography (silica gel, 50% ethyl acetate/heptanes) to provide 4-(4-(2-tert-butyl-phenyl)piperazin-1-yl)-4-oxobutanenitrile (0.170 g, 57%) as an off-white solid, mp 109-110° C.

Aufarbeitung

  1. concentrationAfter 1 h the reaction mixture was concentrated under reduced pressure
  2. temperaturethe reaction mixture was warmed to room temperature
  3. washwashed with water (20.0 mL)
  4. dry with materialdried (Na2SO4)
  5. filtrationfiltered
  6. concentrationconcentrated under reduced pressure
  7. customThe residue was purified by flash column chromatography (silica gel, 50% ethyl acetate/heptanes)

Quellen und Nachweise

ORD-Eintrag
ord-6ad2177aee864b498c2c4184b0381252
Quelldatensatz
uspto-grants-2014_10
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US08853215B2

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