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Methanol → HCID 178452365, Verbindung

HRID 518662
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 518662
[Cl:1][C:2]1[CH:7]=[C:6]([NH:8][C@@H:9]2[CH2:14][CH2:13][C@H:12]([C:15]([OH:17])=[O:16])[CH2:11][CH2:10]2)[C:5]([N+:18]([O-:20])=[O:19])=[CH:4][N:3]=1.S(Cl)(Cl)=O.[C:25]([O:29][C:30]([N:32]1[CH2:37][CH2:36][NH:35][CH2:34][CH2:33]1)=[O:31])([CH3:28])([CH3:27])[CH3:26].CO>C1COCC1.[NH4+].[Cl-]>[NH4+:3].[OH-:16].[Cl:1][C:2]1[CH:7]=[C:6]([NH:8][C@@H:9]2[CH2:10][CH2:11][C@H:12]([C:15]([N:35]3[CH2:34][CH2:33][N:32]([C:30]([O:29][C:25]([CH3:28])([CH3:27])[CH3:26])=[O:31])[CH2:37][CH2:36]3)=[O:17])[CH2:13][CH2:14]2)[C:5]([N+:18]([O-:20])=[O:19])=[CH:4][N:3]=1
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

8

Edukt 4

HCID 887MethanolHCID 24386Thionyl ChlorideHCID 143452tert-Butyl piperazine-1-carboxylate2×HCID 178525752HCID 178525752, Verbindung

Produkt 2

HCID 14923Ammonium HydroxideHCID 178452365HCID 178452365, Verbindung
Ausbeute 193,2 %

Reagenzien, Katalysatoren, Lösungsmittel 2

HCID 8028TetrahydrofuranLösungsmittel2×HCID 25517Ammonium ChlorideLösungsmittel

Versuchsvorschrift

cis-4-(2-Chloro-5-nitropyridin-4-ylamino)cyclohexanecarboxylic acid (1.000 g, 3.34 mmol) was suspended in thionyl chloride (12.18 mL, 167 mmol), and the mixture was stirred at RT for 30 minutes. The reaction mixture was concentrated in vacuo, dissolved in THF (33.4 mL), and then cooled to 0° C. under a nitrogen atmosphere. To the cooled reaction was added tert-butyl-piperazine-1-carboxylate (0.684 g, 3.67 mmol) as a solution in THF (1 mL). The reaction mixture was stirred at 0° C. for 15 minutes and allowed to warm to RT and stirred overnight. To the reaction mixture was added additional tert-butyl-piperazine-1-carboxylate (0.684 g, 3.67 mmol) in THF (1 mL) (×2, stirring for about 1 h after each addition). Upon completion, the reaction mixture was diluted with aqueous NH4Cl and extracted with DCM (×2). The organic layers were dried over sodium sulfate, filtered and concentrated in vacuo. The residual material was purified via silica gel chromatography, eluting with isocratic 90:10:1 DCM:MeOH:NH4OH, to provide tert-butyl 4-(cis-4-(2-chloro-5-nitropyridin-4-ylamino)cyclohexanecarbonyl)piperazine-1-carboxylate (1.51 g, 70% yield) as a yellow solid. MS m/z=468.0 [M+H], calc 467.95 for C21H30ClN5O5.

Aufarbeitung

  1. concentrationThe reaction mixture was concentrated in vacuo
  2. dissolutiondissolved in THF (33.4 mL)
  3. temperaturecooled to 0° C. under a nitrogen atmosphere
  4. customTo the cooled reaction
  5. stirringThe reaction mixture was stirred at 0° C. for 15 minutes
  6. temperatureto warm to RT
  7. stirringstirred overnight
  8. stirringstirring for about 1 h
  9. additionafter each addition)
  10. extractionextracted with DCM (×2)
  11. dry with materialThe organic layers were dried over sodium sulfate
  12. filtrationfiltered
  13. concentrationconcentrated in vacuo
  14. customThe residual material was purified via silica gel chromatography
  15. washeluting with isocratic 90:10:1 DCM

Quellen und Nachweise

ORD-Eintrag
ord-13e4e9e2e29046b6843cba023e6b87c9
Quelldatensatz
uspto-grants-2015_08
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US09115127B2

Notizen zur Reaktion

Wird geladen…

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