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Boron trifluoride → HCID 58550953, Verbindung

HRID 2204098
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 2204098
[CH:1]([O:8][CH2:9][CH3:10])([O:5][CH2:6][CH3:7])OCC.B(F)(F)F.[O:15]=[C:16]1[C:40]2[C:35](=[CH:36][CH:37]=[CH:38][CH:39]=2)[O:34][C:18]2([CH2:23][CH2:22][N:21]([C:24]([O:26][CH2:27][C:28]3[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=3)=[O:25])[CH2:20][CH2:19]2)[CH2:17]1.C(N(C(C)C)C(C)C)C>ClCCl>[CH2:9]([O:8][CH:1]([O:5][CH2:6][CH3:7])[CH:17]1[C:18]2([CH2:23][CH2:22][N:21]([C:24]([O:26][CH2:27][C:28]3[CH:29]=[CH:30][CH:31]=[CH:32][CH:33]=3)=[O:25])[CH2:20][CH2:19]2)[O:34][C:35]2[C:40](=[CH:39][CH:38]=[CH:37][CH:36]=2)[C:16]1=[O:15])[CH3:10]
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

6

Edukt 4

HCID 6356Boron trifluorideHCID 31214Ethyl orthoformateHCID 81531DiisopropylethylamineHCID 30561364Benzyl 4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate

Produkt 1

HCID 58550953HCID 58550953, VerbindungAusbeute 78,7 %

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 6344
Dichloromethane
Lösungsmittel
3×

Reaktionsbedingungen

Temperatur
0 °C

Versuchsvorschrift

To a solution of triethyl orthoformate (71 mL, 0.43 mol)] in dichloromethane (250 mL) at −10° C. under nitrogen was added boron trifluoride diethyletherate (54 mL, 0.43 mol) dropwise over 30 minutes. The mixture was allowed to warm to 0° C. and stirring was continued at 0° C. for 15 minutes. The mixture was then cooled to −78° C. and a solution of benzyl 4-oxospiro[chroman-2,4′-piperidine]-1′-carboxylate (50 g, 0.14 mol) in dichloromethane (250 mL) was added dropwise over 1 hour, followed by N-ethyl-N-isopropylpropan-2-amine (87 mL, 0.50 mol) over 1 hour at −78° C. The mixture was continued to stir at −78° C. for 30 minutes and then at 25° C. for 15 hours. The reaction mixture was diluted with dichloromethane (750 mL) and then partitioned with saturated sodium bicarbonate solution (500 mL). The organic phase was washed with water (500 mL), saturated sodium chloride solution (500 mL), dried over magnesium sulfate and concentrated under reduced pressure. Purification by silica gel flash chromatography (0-50% ethyl acetate in hexane) afforded benzyl 3-(diethoxymethyl)-4-oxospiro[chroman-2,4′-piperidine]-1′-carboxylate (50 g, 78%) as a yellow oil. ESI-MS m/z calc. 453.2, found 408.5 (M+1-OEt)+; Retention time: 2.08 minutes (3 min run).

Aufarbeitung

  1. temperatureThe mixture was then cooled to −78° C.
  2. stirringto stir at −78° C. for 30 minutes
  3. waitat 25° C. for 15 hours
  4. custompartitioned with saturated sodium bicarbonate solution (500 mL)
  5. washThe organic phase was washed with water (500 mL), saturated sodium chloride solution (500 mL)
  6. dry with materialdried over magnesium sulfate
  7. concentrationconcentrated under reduced pressure
  8. customPurification by silica gel flash chromatography (0-50% ethyl acetate in hexane)

Quellen und Nachweise

ORD-Eintrag
ord-1d12a6cfb8244f3a83a25ac2c387bb13
Quelldatensatz
uspto-grants-2016_06
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US09365588B2

Notizen zur Reaktion

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