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Toluene → HCID 86701437, Verbindung

HRID 2173902
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 2173902
[OH:1][C:2]1[CH:3]=[C:4]([CH:8]2[NH:13][CH2:12][CH2:11][N:10]([C:14]([O:16][C:17]([CH3:20])([CH3:19])[CH3:18])=[O:15])[CH2:9]2)[CH:5]=[CH:6][CH:7]=1.O[CH2:22][CH2:23][NH:24][C:25](=[O:34])[O:26][CH2:27][C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1.C(P(CCCC)CCCC)CCC.CCOC(/N=N/C(OCC)=O)=O.C1(C)C=CC=CC=1>C1COCC1.C([O-])(O)=O.[Na+]>[CH2:27]([O:26][C:25]([NH:24][CH2:23][CH2:22][O:1][C:2]1[CH:3]=[C:4]([CH:8]2[NH:13][CH2:12][CH2:11][N:10]([C:14]([O:16][C:17]([CH3:20])([CH3:19])[CH3:18])=[O:15])[CH2:9]2)[CH:5]=[CH:6][CH:7]=1)=[O:34])[C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

8

Edukt 5

HCID 1140TolueneHCID 13831TributylphosphineHCID 280458benzyl N-(2-hydroxyethyl)carbamateHCID 5462977Diethyl azodicarboxylateHCID 16740841Tert-butyl 3-(3-hydroxyphenyl)piperazine-1-carboxylate

Produkt 1

HCID 86701437HCID 86701437, Verbindung

Reagenzien, Katalysatoren, Lösungsmittel 2

HCID 8028TetrahydrofuranLösungsmittelHCID 516892Sodium BicarbonateLösungsmittel

Reaktionsbedingungen

Temperatur
0 °C

Versuchsvorschrift

(+) or (−)-tert-butyl 3-(3-hydroxyphenyl)piperazine-1-carboxylate (tr=9.7 min) (Biological Example 2.1) (300 mg, 1.078 mmol) and benzyl 2-hydroxyethylcarbamate (210 mg, 1.078 mmol) were dissolved in THF (10 ml). Tributylphosphine (0.404 ml, 1.617 mmol) was added, and after cooling to 0° C., DEAD 40% in toluene (0.640 ml, 1.617 mmol) was added dropwise. The reaction was stirred for 2 h at 0° C., then overnight at rt. The reaction mixture was diluted with aqueous NaHCO3. The layers were separated and the aqueous layer was extracted with AcOEt. The organic phase dried over MgSO4 and concentrated in vacuum. The crude residue was purified by preparative HPLC (Macherey-Nagel Nucleosil 100-10 C18, CH3CN/H2O (0.1% TFA)) to give the title compound. MS (ESI+) m/z 455.2 (M+H).

Aufarbeitung

  1. customovernight
  2. customat rt
  3. customThe layers were separated
  4. extractionthe aqueous layer was extracted with AcOEt
  5. dry with materialThe organic phase dried over MgSO4
  6. concentrationconcentrated in vacuum
  7. customThe crude residue was purified by preparative HPLC (Macherey-Nagel Nucleosil 100-10 C18, CH3CN/H2O (0.1% TFA))

Quellen und Nachweise

ORD-Eintrag
ord-36dea08cbee04e1c926400742e09417b
Quelldatensatz
uspto-grants-2015_06
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US09056874B2

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