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Hydrochloric Acid → Tert-butyl 2-(3-cyano-4-fluorophenyl)propanoate

HRID 1927783
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 1927783
[CH:1](NC(C)C)(C)C.C([Li])CCC.[C:13]([C:15]1[CH:16]=[C:17]([CH2:22][C:23]([O:25][C:26]([CH3:29])([CH3:28])[CH3:27])=[O:24])[CH:18]=[CH:19][C:20]=1[F:21])#[N:14].CI.Cl>C1COCC1>[C:13]([C:15]1[CH:16]=[C:17]([CH:22]([CH3:1])[C:23]([O:25][C:26]([CH3:29])([CH3:28])[CH3:27])=[O:24])[CH:18]=[CH:19][C:20]=1[F:21])#[N:14]
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

7

Edukt 5

HCID 313Hydrochloric AcidHCID 6328Methyl iodideHCID 7912DiisopropylamineHCID 45925946Tert-butyl 2-(3-cyano-4-fluorophenyl)acetateHCID 178418339Butyllithium

Produkt 1

HCID 68467119Tert-butyl 2-(3-cyano-4-fluorophenyl)propanoate

Reagenzien, Katalysatoren, Lösungsmittel

1
HCID 8028TetrahydrofuranLösungsmittel3×

Reaktionsbedingungen

Temperatur
0 °C

Versuchsvorschrift

To a stirred solution of diisopropylamine in 2 ml of THF at −78° C. was added n-butyl lithium (0.61 ml). The reaction was stirred for 30 minutes after which time a solution of tert-butyl 2-(3-cyano-4-fluorophenyl)acetate (0.300 g) in THF (2 ml) was added dropwise over 20 minutes at −78° C. The reaction was warmed to 0° C. and then transferred a flask containing 2 ml THF and MeI (0.080 ml). The reaction was acidified with 2M HCl and extracted with ethyl acetate. The combined organics were then washed with brine and dried over MgSO4. The concentrated product was purified by silica gel chromatography using a solvent system of 5% to 50% ethyl acetate/hexanes to provide tert-butyl 2-(3-cyano-4-fluorophenyl)propanoate (0.140 g).

Aufarbeitung

  1. additionwas added dropwise over 20 minutes at −78° C
  2. extractionextracted with ethyl acetate
  3. washThe combined organics were then washed with brine
  4. dry with materialdried over MgSO4
  5. customThe concentrated product was purified by silica gel chromatography

Quellen und Nachweise

ORD-Eintrag
ord-9aa6e137973749e4b2a1f7219e5a5f57
Quelldatensatz
uspto-grants-2012_05
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US08183289B2

Notizen zur Reaktion

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