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2-bromo-5-(1,3-dimethyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine → (5S,7R)-2-bromo-5-(1,3-dimethyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

HRID 62223
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Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 62223
[Br:1][C:2]1[CH:21]=[C:5]2[NH:6][CH:7]([C:14]3[C:15]([CH3:20])=[N:16][N:17]([CH3:19])[CH:18]=3)[CH2:8][CH:9]([C:10]([F:13])([F:12])[F:11])[N:4]2[N:3]=1>CO>[Br:1][C:2]1[CH:21]=[C:5]2[NH:6][C@H:7]([C:14]3[C:15]([CH3:20])=[N:16][N:17]([CH3:19])[CH:18]=3)[CH2:8][C@H:9]([C:10]([F:11])([F:12])[F:13])[N:4]2[N:3]=1
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Komponenten

3

Edukt 1

HCID 1363444012-bromo-5-(1,3-dimethyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

Produkt 1

HCID 136492809(5S,7R)-2-bromo-5-(1,3-dimethyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 887MethanolLösungsmittel

Versuchsvorschrift

The racemic 2-bromo-5-(1,3-dimethyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (1.5 g, 4.1 mmol, Preparation 8) was dissolved in methanol (35 mL) and the cloudy solution was gently warmed providing a clear solution. The solution was then filtered through a medium porosity Buchner funnel. The clear filtrate was directly used for chiral HPLC purification. 1 mL of this solution was loaded onto a 2.1 cm×25 cm Chiralcel OD column and eluted with a mobile phase comprising of isopropyl alcohol and methanol (1:1 ratio) at a flow rate of 15 mL/min. The two (R and S) enantiomers were collected separately. 27 such injections were carried out and the pooled fractions of pure (R and S) enantiomers were concentrated under reduced pressure. The title compound was isolated as a white powder (0.71 g, 1.95 mmols, >95% ee).

Aufarbeitung

  1. temperaturethe cloudy solution was gently warmed
  2. customproviding a clear solution
  3. filtrationThe solution was then filtered through a medium porosity Buchner funnel
  4. customThe clear filtrate was directly used for chiral HPLC purification
  5. washeluted with a mobile phase comprising of isopropyl alcohol and methanol (1:1 ratio) at a flow rate of 15 mL/min
  6. customThe two (R and S) enantiomers were collected separately
  7. concentrationthe pooled fractions of pure (R and S) enantiomers were concentrated under reduced pressure

Quellen und Nachweise

ORD-Eintrag
ord-89f010a9190546d899398e67cb5addbb
Quelldatensatz
uspto-grants-2016_09
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US09446046B2

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