HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 1353892Erstellt: 26. Oktober 2026
Sodium Methoxide → 3-[3-(4-Fluorophenyl)(1h-indazol-5-yl)]-5-(pyrrolidinylmethyl)-1h-1,2,4-triazole
https://huagongshe.com/reaction/1353892
Beteiligte Stoffe
| Rolle | Name | HCID | Einwaage |
|---|
| Edukt | Sodium Methoxide | HCID 10942334 | — |
| Edukt | Pyrazolone | HCID 11513733 | — |
| Edukt | Pyrrolidine-2-carbohydrazide | HCID 14045869 | — |
| Edukt | ethoxy[3-(4fluorophenyl)(1H-indazol-5-yl)]methanimine hydrochloride | HCID 22479739 | — |
| Lösungsmittel | Methanol | HCID 887 | — |
| Produkt | 3-[3-(4-Fluorophenyl)(1h-indazol-5-yl)]-5-(pyrrolidinylmethyl)-1h-1,2,4-triazole | HCID 10021535 | 5% |
Reaktionsschritte
A suspension of ethoxy[3-(4-fluorophenyl)(1H-indazol-5-yl)]methanimine hydrochloride (0.500 g, 1.56 mmol) and N-aminopyrrolidin-2-ylcarboxamide (0.606 g, 4.69 mmol) in 4 mL of anhydrous methanol was prepared. An excess of a commercial solution of sodium methoxide in methanol (0.727 mL, 4.37 M) was added. After 2 h, the temperature was raised to reflux and was maintained for 48 hours. The analysis of the mixture showed the formation of the corresponding oxodiazole occurring as a side reaction. The reaction was then quenched with water, the pH adjusted to neutral and the crude product extracted with ethyl acetate. The title compound was purified by preparative HPLC (0.030 g, 5% yield): 1H NMR (CD3OD) δ 8.69 (t, 1H), 8.10–8.02 (m, 3H), 7.68 (d, 1H), 7.05 (t, 2H), 4.52 (t, 1H), 3.17 (m, 2H), 2.39–1.99 (m, 4H), 2.37 (s, 6H), 2.30 (s, 2H), 1.12 (s, 9H); ES-MS (m/z) 349 [M+H]+.
Herkunft & Nachweise
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patentnummer | US07220771B2 |
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| Quelldatensatz | uspto-grants-2007_05 |
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| ORD ID | ord-cbb92a8ad5614661ace72bb7bb4ef40b |
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| Quellennotiz | uspto-grants-2007_05 |
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