HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 634205Erstellt: 24. Oktober 2026
Potassium Phosphate, Tribasic → methyl 3-(4-isopropylpyrimidin-2-yl)-1-tosyl-1H-indole-5-carboxylate
https://huagongshe.com/de/reaction/634205
Beteiligte Stoffe
| Rolle | Name | HCID | Einwaage |
|---|
| Edukt | Potassium Phosphate, Tribasic | HCID 62657 | — |
| Edukt | 2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl | HCID 11155794 | — |
| Edukt | 2-Chloro-4-isopropylpyrimidine | HCID 24901916 | — |
| Edukt | methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-indole-5-carboxylate | HCID 68328028 | — |
| Katalysator | Bis(dibenzylideneacetone)palladium | HCID 9811564 | — |
| Lösungsmittel | Water | HCID 962 | — |
| Lösungsmittel | 1,4-Dioxane | HCID 31275 | — |
| Produkt | methyl 3-(4-isopropylpyrimidin-2-yl)-1-tosyl-1H-indole-5-carboxylate | HCID 68327948 | 75,1% |
Reaktionsschritte
A brown mixture of methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-indole-5-carboxylate (1.85 g, 4.06 mmol), 2-chloro-4-isopropylpyrimidine (0.700 g, 4.47 mmol) [CombiPhos Catalyst Inc.], potassium phosphate (2.59 g, 12.19 mmol), Pd2(dba)3 (0.15 g, 0.16 mmol), and dicyclohexyl(2′,4′,6′-triisopropylbiphenyl-2-yl)phosphine (X-Phos) (0.15 g, 0.32 mmol) in dioxane (15 mL) and H2O (3.00 mL) was purged with argon then heated in an oil bath at 100° C. for 3 h. The reaction was cooled to RT, diluted with EtOAc (100 mL), washed with NaOH (5 mL of 0.5 N) followed by brine (5 mL). The organic solution was dried and concentrated. Chromatographic purification of the brown residue (20-80% EtOAc/Hex) furnished methyl 3-(4-isopropylpyrimidin-2-yl)-1-tosyl-1H-indole-5-carboxylate (1.37 g, 75%) as a light-yellow solid. This material was used in next step without further purification. MS (ESI, pos. ion) m/z: 450.0 (M+1).
Herkunft & Nachweise
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patentnummer | US09321756B2 |
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| Quelldatensatz | uspto-grants-2016_04 |
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| ORD ID | ord-8534abe0469247d18d77a4e31587541a |
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| Quellennotiz | uspto-grants-2016_04 |
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