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HCID 67282712, Verbindung → HCID 67282524, Verbindung

HRID 1187500
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Reaktionsgleichung

Reaktionsgleichung von HRID 1187500
C([O:8][C:9]1[C:14](=[O:15])[C:13]([CH2:16][C:17]([F:20])([F:19])[F:18])=[CH:12][NH:11][C:10]=1[CH3:21])C1C=CC=CC=1.[CH2:22](OC1C(=O)C(C(OC)C(F)(F)F)=CNC=1C)C1C=CC=CC=1>>[OH:8][C:9]1[C:14](=[O:15])[C:13]([CH2:16][C:17]([F:18])([F:19])[F:20])=[CH:12][N:11]([CH3:22])[C:10]=1[CH3:21]
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Komponenten

3

Edukt 2

HCID 67282712HCID 67282712, VerbindungHCID 67283015HCID 67283015, Verbindung

Produkt 1

HCID 67282524HCID 67282524, Verbindung

Versuchsvorschrift

To a clear solution of 3-benzyloxy-5-(1-chloro-2,2,2-trifluoro-ethyl)-2-methyl-1H-pyridin-4-one hydrochloric acid salt (2.03 g, 5.50 mmol) in methanol (70 mL) was added sodium borohydride (1.25 g, 33.0 mmol) in several portions. The reaction was completed within 20 min. The reaction mixture was quenched with deionized water (80 mL). The volume of the resulting clear solution was reduced to about 10 mL by evaporation under reduced pressure to give a solid/liquid mixture. Another 50 mL of deionized water was added. The aqueous solution was extracted with dichloromethane (3×50 mL). The combined organic fractions was dried over Na2SO4, filtered, then concentrated in vacuo to give an oil (1.3 g), which solidified upon standing. HPLC analysis (HPLC Method 1, Example 24) of the crude solid material indicated presence of a mixture of the desired compound 3-benzyloxy-2-methyl-5-(2,2,2-trifluoro-ethyl)-1H-pyridin-4-one (RT=14.7 min, peak percent area=80.6%) and 3-benzyloxy-2-methyl-5-(2,2,2-trifluoro-1-methoxy-ethyl)-1H-pyridin-4-one (RT=15.7 min, peak percent area=16.2%) in about 5/1 ratio. Purification of the solid by column chromatography on silica gel (methanol/dichloromethane 2/100 to 3/100 v/v as eluant) afforded the title compound (0.9 g, 56% yield, HPLC purity (peak percent area): 98% at λ=280 nm). 1H NMR (DMSO-d6) δ ppm: 11.47 (br s, 1H), 7.60 (s, 1H), 7.37 (m, 5H), 5.06 (s, 2H), 3.41 (q, J=11.5 Hz, 2H), 2.06 (s, 3H); MS-ESI (m/z) 298.2 [M+1]+, 91.1 (100%).

Quellen und Nachweise

ORD-Eintrag
ord-e6bf3d57f7e74ecd9c6550b0fb4f6718
Quelldatensatz
uspto-grants-2014_03
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US08673943B2

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