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Hydrochloric Acid → 9-Hydroxy-3-(6-hydroxy-5,5-dimethylhexyl)-8,8-dimethylnonan-2-one

HRID 47996
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 47996
OCC(C)(C)CCCCC(CCCCC(C)(C)CO)C(O)=O.C[Li].Cl.[OH:26][C:27]([CH:30]([CH2:40][CH2:41][CH2:42][CH2:43][C:44]([CH3:48])([CH3:47])[CH2:45][OH:46])[CH2:31][CH2:32][CH2:33][CH2:34][C:35]([CH3:39])([CH3:38])[CH2:36][OH:37])(C)[CH3:28]>C1COCC1.C(OCC)(=O)C>[OH:46][CH2:45][C:44]([CH3:48])([CH3:47])[CH2:43][CH2:42][CH2:41][CH2:40][CH:30]([CH2:31][CH2:32][CH2:33][CH2:34][C:35]([CH3:39])([CH3:38])[CH2:36][OH:37])[C:27](=[O:26])[CH3:28]
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Komponenten

7

Edukt 4

HCID 313Hydrochloric AcidHCID 115807627-(1-Hydroxy-1-methylethyl)-2,2,12,12-tetramethyltridecan-1,13-diolHCID 117024498-Hydroxy-2-(6-hydroxy-5,5-dimethylhexyl)-7,7-dimethyloctanoic acidHCID 178418348HCID 178418348, Verbindung

Produkt 1

HCID 116382329-Hydroxy-3-(6-hydroxy-5,5-dimethylhexyl)-8,8-dimethylnonan-2-oneAusbeute 41 %

Reagenzien, Katalysatoren, Lösungsmittel 2

HCID 8028TetrahydrofuranLösungsmittelHCID 8857Ethyl AcetateLösungsmittel

Versuchsvorschrift

8-Hydroxy-2-(6-hydroxy-5,5-dimethyl-hexyl)-7,7-dimethyl-octanoic acid (1.0g, 3.16 mmol) was dissolved in THF (40 mL) and cooled in an ice-water bath. Methyl lithium (27 mL) was then added at once. The reaction was continued for 2 h at 0° C. The reaction mixture was poured into dilute hydrochloric acid (5 mL concentrated hydrochloric acid in 60 mL water). The organic layer was separated and the aqueous layer was extracted with diethyl ether (2×50 mL). The combined organic layers were dried over sodium sulfate and concentrated in vacuo to give the crude product (1.0 g). The crude product was purified by column chromatography (hexanes : ethyl acetate=4:1, then 1:1) to give 9-hydroxy-3-(6-hydroxy-5,5-dimethyl-hexyl)-8,8-dimethyl-nonan-2-one (0.41 g, yield 41%) and 7-(1-hydroxy-1-methylethyl)-2,2,12,12-tetramethyltridecan-1,13-diol (0.4 g, 38%, not shown) as a by-product. 1H NMR (300 MHz, CDCl3/TMS): δ (ppm) 3.46 (s, 4H), 2.65-2.50 (m, 1H), 2.28 (s, 3H), 2.60 (br., 2H), 1.82-1.50 (m, 4H), 1.50-1.25 (m, 12H), 1.02 (s, 12H). 13C NMR (75 MHz, CDCl3/TMS): δ (ppm) 213.4, 71.7, 53.2, 38.3, 31.6, 28.7, 28.3, 23.8. HRMS (LSIMS, nba): Calcd. for C19H39O3 (MH+): 315.2899, found: 315.2866.

Aufarbeitung

  1. temperaturecooled in an ice-water bath
  2. customThe organic layer was separated
  3. extractionthe aqueous layer was extracted with diethyl ether (2×50 mL)
  4. dry with materialThe combined organic layers were dried over sodium sulfate
  5. concentrationconcentrated in vacuo
  6. customto give the crude product (1.0 g)
  7. customThe crude product was purified by column chromatography (hexanes

Quellen und Nachweise

ORD-Eintrag
ord-df3223abfa574223abd0848cf3cac2f1
Quelldatensatz
uspto-grants-2004_03
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US06699910B2

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