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Sodium Carbonate → 5-(2-Chloropyridin-3-yl)-1H-pyrazolo[3,4-b]pyridine

HRID 2284559
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 2284559
[Cl:1][C:2]1[C:7]([C:8]2[CH:9]=[C:10]3[C:14](=C[CH:16]=2)[NH:13][N:12]=[CH:11]3)=[CH:6][CH:5]=[CH:4][N:3]=1.BrC1C=C2C=NN(C(OC(C)(C)C)=O)C2=[N:22]C=1.ClC1C(B2OC(C)(C)C(C)(C)O2)=CC=CN=1.C([O-])([O-])=O.[Na+].[Na+]>C1COCC1.CO.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.O1CCOCC1>[Cl:1][C:2]1[C:7]([C:8]2[CH:9]=[C:10]3[CH:11]=[N:12][NH:13][C:14]3=[N:22][CH:16]=2)=[CH:6][CH:5]=[CH:4][N:3]=1
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

8

Edukt 4

HCID 10340Sodium CarbonateHCID 120670602-Chloropyridine-3-boronic acid pinacol esterHCID 50986454tert-Butyl 5-bromo-1H-pyrazolo[3,4-b]pyridine-1-carboxylateHCID 867154695-(2-chloropyridin-3-yl)-1H-indazole

Produkt 1

HCID 867154685-(2-Chloropyridin-3-yl)-1H-pyrazolo[3,4-b]pyridine

Reagenzien, Katalysatoren, Lösungsmittel 3

HCID 178418397HCID 178418397, VerbindungKatalysatorHCID 312751,4-DioxaneLösungsmittelHCID 21899815MeOH tetrahydrofuranLösungsmittel

Versuchsvorschrift

5-(2-chloropyridin-3-yl)-1H-pyrazolo[3,4-b]pyridine was prepared in the similar to the preparation of 5-(2-chloropyridin-3-yl)-1H-indazole by heating the mixture of tert-butyl 5-bromo-1H-pyrazolo[3,4-b]pyridine-1-carboxylate (2.0 g, 6.7 mmol), 2-chloro-3-pyridine boronic acid pinacol ester (1.9 g, 8.0 mmol), Pd(PPh3)4 (770 mg, 67 mmol), 1,4-dioxane (40 mL) and 2M aq.Na2CO3 (9 mL, 18 mmol) under argon atmosphere. After 12 h, the reaction mixture was cooled to room temperature and concentrated. The crude concentrate was diluted with EtOAc/water (200 mL/100 mL), allowed to stir for 30 min and the heterogeneous solution was filtered. The filter cake was washed with EtOAc (200 mL) and water (75 mL) successively. The filter cake thus obtained was analyzed as the desired product (0.55 g) and dissolved in a mixture of THF/MeOH (2:1, 50 mL). The homogeneous solution was passed through a pad of Celite® and the filtrate concentrated to provide desired product as a crystalline solid (0.45 g). Organic layer from combined filtrates was separated, stirred with MgSO4/Celite® for 20 min and filtered. The filtrate was concentrated and subjected to flash silica gel column purification (Combiflash® companion System® with RediSep® silica gel column 12 g, 30-50-90EtOAC/hexanes eluting solvent gradient upon dry loading the sample by absorbing on silica gel) to obtain another 0.4 g of 5-(2-chloropyridin-3-yl)-1H-pyrazolo[3,4-b]pyridine. Total yield: 52%. 1H NMR (DMSO-d6): δ 13.83 (s, 1H), 8.59 (d, 1H, J=2.0 Hz), 8.45 (dd, 1H, J=1.7 and 4.7 Hz), 8.36 (d, 1H, J=2.0 Hz), 8.21 (s, 1H), 8.00 (dd, 1H, J=1.7 and 7.7 Hz), 7.59 (dd, 1H, J=4.7 and 7.7 Hz).LCMS: rt5.20 min (A), purity 94%, MS (m/e) 231 (MH+).

Aufarbeitung

  1. custom5-(2-chloropyridin-3-yl)-1H-pyrazolo[3,4-b]pyridine was prepared in the
  2. temperatureby heating
  3. concentrationconcentrated
  4. concentrationThe crude concentrate
  5. additionwas diluted with EtOAc/water (200 mL/100 mL)
  6. filtrationthe heterogeneous solution was filtered
  7. washThe filter cake was washed with EtOAc (200 mL) and water (75 mL) successively
  8. customThe filter cake thus obtained
  9. concentrationthe filtrate concentrated

Quellen und Nachweise

ORD-Eintrag
ord-a9ccdb6caa5047d2b7d6385d41d5960c
Quelldatensatz
uspto-grants-2015_09
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US09145433B2

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