HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 10098Erstellt: 25. Oktober 2026
Sodium Carbonate → 4-Chloro-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene hydrochloride
https://huagongshe.com/reaction/10098
Beteiligte Stoffe
| Rolle | Name | HCID | Einwaage |
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| Edukt | Sodium Carbonate | HCID 10340 | — |
| Edukt | 1-(4-Chloro-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7), 3,5-trien-10-yl)-2,2,2-trifluoro-ethanone | HCID 21864701 | — |
| Lösungsmittel | Methanol | HCID 887 | — |
| Lösungsmittel | Water | HCID 962 | — |
| Produkt | 4-Chloro-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene hydrochloride | HCID 9816019 | — |
Reaktionsschritte
1-(4-Chloro-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone (470 mg, 1.62 mmol) and Na2CO3 (344 mg, 3.24 mmol) in methanol (30 mL) and H2O (10 mL) were heated to reflux. After 2 hours, the reaction was cooled and diluted with water then extracted with ethyl acetate (4×40 mL), dried (Na2SO4), filtered and concentrated to a yellow oil. The crude material was treated with excess 3N HCl ethyl acetate and concentrated, then dissolved in a minimum of CH2Cl2 and the solution was saturated with hexanes and stirred. After stirring 4 hours the product was collected by filtration (155 mg, 42%). 1H NMR (free base) (400 MHz, CDCl3) δ 7.15 (m, 2H), 7.09 (d, J=8.0 Hz, 1H), 3.00–2.94 (m, 4H), 2.68, (m, 2H), 2.38 (m, 1H), 1.92 (d, J=10.5 Hz, 1H). 1H NMR (HCl salt) (400 MHz, DMSO-d6) δ 7.30–7.20 (m, 3H), 3.30–3.15 (m, 6H), 2.37 (m, 1H), 1.89 (d, J=11.0 Hz, 1H). APCI MS m/e 194.1 [(M+1)+].
Herkunft & Nachweise
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patentnummer | US07091372B2 |
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| Quelldatensatz | uspto-grants-2006_08 |
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| ORD ID | ord-838100bfc1eb4170bffb41fdeff481cd |
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| Quellennotiz | uspto-grants-2006_08 |
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