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Hydrogen Bromide → 2-Bromo-1-(4-(dibenzylamino)-2-methylcyclopentyl)ethanone

HRID 1969584
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Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 1969584
[C:1](Cl)(=O)C(Cl)=O.[CH2:7]([N:14]([CH2:24][C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1)[CH:15]1[CH2:19][CH:18]([C:20](O)=[O:21])[CH:17]([CH3:23])[CH2:16]1)[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1.CN(C=O)C.C[Si](C=[N+]=[N-])(C)C.[BrH:43].C([O-])(O)=O.[Na+]>C(Cl)Cl.C1COCC1.CC#N>[Br:43][CH2:1][C:20]([CH:18]1[CH2:19][CH:15]([N:14]([CH2:24][C:25]2[CH:26]=[CH:27][CH:28]=[CH:29][CH:30]=2)[CH2:7][C:8]2[CH:9]=[CH:10][CH:11]=[CH:12][CH:13]=2)[CH2:16][CH:17]1[CH3:23])=[O:21]
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

10

Edukt 6

HCID 260Hydrogen BromideHCID 6228DimethylformamideHCID 65578Oxalyl chlorideHCID 167693TrimethylsilyldiazomethaneHCID 516892Sodium BicarbonateHCID 585575354-(Dibenzylamino)-2-methylcyclopentanecarboxylic acid

Produkt 1

HCID 58557145
2-Bromo-1-(4-(dibenzylamino)-2-methylcyclopentyl)ethanone
Ausbeute 69,3 %

Reagenzien, Katalysatoren, Lösungsmittel 3

HCID 6342AcetonitrileLösungsmittel2×HCID 6344DichloromethaneLösungsmittelHCID 8028TetrahydrofuranLösungsmittel2×

Versuchsvorschrift

Oxalyl chloride (4.37 mL, 49.9 mmol) was slowly added to a solution of 4-(dibenzylamino)-2-methylcyclopentanecarboxylic acid (7.34 g, 22.7 mmol, Example #7, step I) in DCM (100 mL), (note: mild gas evolution) followed by a dropwise addition of DMF (0.26 mL, 3.41 mmol). The mixture was stirred at ambient temperature for about 14 h. The solvent was removed under reduced pressure to yield a beige amorphous solid, which was dissolved in THF and MeCN (1:1, 100 mL) and added to a solution of trimethylsilyldiazomethane (2 M in Et2O, 39.7 mL, 79 mmol) in THF and MeCN (1:1, 100 mL) at about 0° C. The resulting mixture was stirred at about 0° C. for about 3 h and then was quenched by a dropwise addition of HBr (48% aqueous, 25 mL, 221 mmol). The resulting mixture was neutralized by a dropwise addition of saturated aqueous NaHCO3 (300 mL) and the layers were separated. The organic layer was dried over anhydrous MgSO4 and concd under reduced pressure. The residue was purified by silica gel flash chromatography eluting with 5% to 45% of EtOAc in heptane to yield 2-bromo-1-(4-(dibenzylamino)-2-methylcyclopentyl)ethanone (6.3 g, 69%) as a yellow oil: LC/MS (Table 1, Method a) Rt=2.90 min; MS m/z 400, 402 (M+H)+.

Aufarbeitung

  1. customThe solvent was removed under reduced pressure
  2. customto yield a beige amorphous solid, which
  3. stirringThe resulting mixture was stirred at about 0° C. for about 3 h
  4. customthe layers were separated
  5. dry with materialThe organic layer was dried over anhydrous MgSO4 and concd under reduced pressure
  6. customThe residue was purified by silica gel flash chromatography
  7. washeluting with 5% to 45% of EtOAc in heptane

Quellen und Nachweise

ORD-Eintrag
ord-e88a7eb5ef124af58f84f742f38489d6
Quelldatensatz
uspto-grants-2013_04
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US08426411B2

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