StartseiteMCPWorkbenchSkills
StartseiteWorkbenchBenachrichtigungenMein Bereich
llms.txt · MCP-AnleitungDatenschutz · Nutzungsbedingungen · Supportv1.8.0
  1. Startseite
  2. /Reaktion

Hydroxyamine hydrochloride → HCID 178513336, Verbindung

HRID 499146
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 499146
[Na].Cl.[NH2:3][OH:4].[F:5][C:6]([F:30])([F:29])[C:7]1[CH:28]=[CH:27][CH:26]=[CH:25][C:8]=1[C:9]([N:11]1[CH2:16][CH2:15][N:14]([C:17]2[N:22]=[N:21][C:20]([C:23]#[N:24])=[CH:19][CH:18]=2)[CH2:13][CH2:12]1)=[O:10]>C(O)C>[OH:4][NH:3][C:23]([C:20]1[N:21]=[N:22][C:17]([N:14]2[CH2:13][CH2:12][N:11]([C:9](=[O:10])[C:8]3[CH:25]=[CH:26][CH:27]=[CH:28][C:7]=3[C:6]([F:30])([F:29])[F:5])[CH2:16][CH2:15]2)=[CH:18][CH:19]=1)=[NH:24]
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

5

Edukt 3

HCID 443297Hydroxyamine hydrochlorideHCID 5360545Sodium2×HCID 675233306-[4-(2-Trifluoromethylbenzoyl)piperazin-1-yl]pyridazine-3-carbonitrile

Produkt 1

HCID 178513336HCID 178513336, VerbindungAusbeute 55 %

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 702EthanolLösungsmittel

Versuchsvorschrift

Sodium metal (0.116 g, 4.98 mmol) was added to ice cold ethanol (10 mL). When all the sodium metal dissolved, hydroxylamine hydrochloride (0.346 g, 4.98 mmol) was introduced in one portion. The suspension was stirred at room temperature for 15 minutes and a solution of 6-[4-(2-trifluoromethylbenzoyl)piperazin-1-yl]-pyridazine-3-carbonitrile (0.900 g, 2.49 mmol) in ethanol (2 mL) was then added. The mixture was further stirred at room temperature overnight. The solvent was removed in vacuo and the residue was suspended in ethyl acetate (10 mL) and filtered through celite. The filtrate was concentrated and the product was purified by column chromatography. The title compound was obtained as a pale yellow syrup in 55% yield (0.54 g). 1H NMR (300 MHz, CDCl3) δ 7.82 (d, J=9.6 Hz, 1H), 7.45 (d, J=7.6 Hz, 1H), 7.70-7.52 (m, 2H), 7.35 (d, J=7.4 Hz, 1H), 6.95 (d, J=9.5 Hz, 1H), 5.53 (s, 2H), 4.10-3.95 (m, 1H), 3.98-3.82 (m, 1H), 3.82-3.60 (m, 4H), 3.32 (t, J=5.1 Hz, 2H). 13C NMR (75 MHz, CDCl3) δ 157.5, 147.5, 142.1, 132.2, 130.2, 127.3, 125.1, 123.2, 110.8, 44.2, 42.6, 42.3, 39.1 MS (ES+) m/z 395.3 (M+H).

Aufarbeitung

  1. stirringThe mixture was further stirred at room temperature overnight
  2. customThe solvent was removed in vacuo
  3. filtrationfiltered through celite
  4. concentrationThe filtrate was concentrated
  5. customthe product was purified by column chromatography

Quellen und Nachweise

ORD-Eintrag
ord-e1fc8326ec364006aa5ef65d4acb1296
Quelldatensatz
uspto-grants-2010_08
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US07767677B2

Notizen zur Reaktion

Wird geladen…

Auf dieser SeiteKomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion