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HCID 67412477, Verbindung → (s)-5-(2,4-Difluorophenoxy)-1-isobutyl-1h-indazole-6-carboxylic acid (1-hydroxymethyl-3-isopropylaminopropyl)-amide

HRID 1897487
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Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 1897487
COC1C=CC(C[N:8]([CH:39]([CH3:41])[CH3:40])[CH2:9][CH2:10][C@H:11]([NH:14][C:15]([C:17]2[CH:25]=[C:24]3[C:20]([CH:21]=[N:22][N:23]3[CH2:26][CH:27]([CH3:29])[CH3:28])=[CH:19][C:18]=2[O:30][C:31]2[CH:36]=[CH:35][C:34]([F:37])=[CH:33][C:32]=2[F:38])=[O:16])[CH2:12][OH:13])=CC=1>CO.[Pd]>[OH:13][CH2:12][C@@H:11]([NH:14][C:15]([C:17]1[CH:25]=[C:24]2[C:20]([CH:21]=[N:22][N:23]2[CH2:26][CH:27]([CH3:28])[CH3:29])=[CH:19][C:18]=1[O:30][C:31]1[CH:36]=[CH:35][C:34]([F:37])=[CH:33][C:32]=1[F:38])=[O:16])[CH2:10][CH2:9][NH:8][CH:39]([CH3:41])[CH3:40]
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

4

Edukt 1

HCID 67412477HCID 67412477, Verbindung

Produkt 1

HCID 67411669(s)-5-(2,4-Difluorophenoxy)-1-isobutyl-1h-indazole-6-carboxylic acid (1-hydroxymethyl-3-isopropylaminopropyl)-amideAusbeute 60 %

Reagenzien, Katalysatoren, Lösungsmittel 2

HCID 23938PalladiumKatalysatorHCID 887MethanolLösungsmittel

Versuchsvorschrift

To a solution of (S)—N-(4-((4-methoxybenzyl)(isopropyl)amino)-1-hydroxybutan-2-yl)-5-(2,4-difluorophenoxy)-1-isobutyl-1H-indazole-6-carboxamide (0.020 g, 0.033 mmol) in MeOH (5 mL) was added wet Pd/C (0.020 g, 10% by weight). The mixture was purged with hydrogen several times and then stirred at room temperature under H2 atmosphere for 5 hours. The catalyst was removed by filtration and the filtrate was concentrated under reduced pressure. The residue was chromatographed eluting with 10% MeOH in dichloromethane with 2% triethylamine to provide 9.4 mg colorless gel (60% yield). MS (ESI+) m/z 475 (M+1) detected; 1H NMR (400 mHz, CDCl3) δ 8.40 (d, 1H), 8.31 (s, 1H), 7.87 (s, 1H), 7.13 (m, 1H), 7.03 (s, 1H), 7.01 (m, 1H), 6.91 (m, 1H), 4.33 (m, 1H), 4.22 (d, 2H), 3.69 (m, 2H), 2.69 (m, 2H), 2.37 (m, 2H), 1.32 (m, 2H), 1.09 (d, 3H), 1.01 (d, 3H), 0.93 (d, 6H).

Aufarbeitung

  1. customThe mixture was purged with hydrogen several times
  2. customThe catalyst was removed by filtration
  3. concentrationthe filtrate was concentrated under reduced pressure
  4. customThe residue was chromatographed
  5. washeluting with 10% MeOH in dichloromethane with 2% triethylamine

Quellen und Nachweise

ORD-Eintrag
ord-fcc326fa8c06422b8c1febc823395da3
Quelldatensatz
uspto-grants-2013_08
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US08518983B2

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