HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 70968Erstellt: 24. Oktober 2026
Dimethylacetamide → N-[1-Cyano-2-(4-cyano-6-trifluoromethyl-2H-benzotriazol-2-yl)-1-methylethyl]-4-trifluoromethoxybenzamide
https://huagongshe.com/de/reaction/70968
Beteiligte Stoffe
| Rolle | Name | HCID | Einwaage |
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| Edukt | Dimethylacetamide | HCID 31374 | — |
| Edukt | (1,1'-Binaphthalen)-2-yldi-tert-butylphosphine | HCID 2734941 | — |
| Edukt | N-[2-(4-Chloro-6-trifluoromethyl-2H-benzotriazol-2-yl)-1-cyano-1-methylethyl]-4-trifluoromethoxybenzamide | HCID 25122649 | — |
| Katalysator | Zinc cyanide (Zn(CN)2) | HCID 11186 | — |
| Katalysator | Zinc | HCID 23994 | — |
| Katalysator | Palladium(II) trifluoroacetate | HCID 2733347 | — |
| Produkt | N-[1-Cyano-2-(4-cyano-6-trifluoromethyl-2H-benzotriazol-2-yl)-1-methylethyl]-4-trifluoromethoxybenzamide | HCID 86625572 | 63% |
Reaktionsschritte
N-[2-(4-Chloro-6-trifluoromethyl-2H-benzotriazol-2-yl)-1-cyano-1-methylethyl]-4-trifluoromethoxybenzamide (100 mg, described in Example 19), zinc cyanide (50 mg), zinc powder (10 mg), 2-di-t-butylphosphino-1,1′-binaphthyl (40 mg) and palladium trifluoroacetate (34 mg) were heated under nitrogen in degassed dimethylacetamide (1 mL) at 100° C. overnight. The mixture was concentrated under reduced pressure to give a residue that was purified by chromatography (SiO2, heptane/EA) to afford the title compound as a white solid (62 mg, 63%). Rf=0.6 (1:1 EA/heptane). MS (ES): M/Z [M+H]=483. NMR: (400 MHz, DMSO-d6): 1.77 (s, 3H), 5.56 (d, J=13.3 Hz, 1H), 5.66 (d, J=13.3 Hz, 1H), 7.49 (d, J=8.2 Hz, 2H), 7.92 (d, J=8.6 Hz, 2H), 8.59 (s, 1H), 8.90 (s, 1H) and 9.02 (s, 1H). 19F NMR (376 MHz, DMSO-d6): −61.0 (s, 3F) and −57.1 (s, 3F).
Herkunft & Nachweise
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patentnummer | US08822689B2 |
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| Quelldatensatz | uspto-grants-2014_09 |
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| ORD ID | ord-d1d7cea35fac48569757309e62d2b976 |
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| Quellennotiz | uspto-grants-2014_09 |
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