HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 577423Erstellt: 25. Oktober 2026
Trifluoroacetic acid → HCID 86706417, Verbindung
https://huagongshe.com/reaction/577423
Beteiligte Stoffe
| Rolle | Name | HCID | Einwaage |
|---|
| Edukt | Trifluoroacetic acid | HCID 6422 | — |
| Edukt | m-Chloroperbenzoic acid | HCID 70297 | — |
| Edukt | Diisopropylethylamine | HCID 81531 | — |
| Edukt | (2R)-2-aminobutanamide hydrochloride | HCID 16218339 | — |
| Edukt | 3-(Methylthio)-5-(p-tolylamino)-1,2,4-triazine-6-carboxamide | HCID 86706415 | — |
| Lösungsmittel | Water | HCID 962 | — |
| Lösungsmittel | N-methyl-2-pyrrolidone | HCID 13387 | — |
| Produkt | HCID 86706417 | HCID 86706417 | 132,5% |
Reaktionsschritte
3-(Methylthio)-5-(p-tolylamino)-1,2,4-triazine-6-carboxamide (31 mg, 0.11 mmol) was dissolved in 5 mL NMP. To it was added mCPBA (77%) (100 mg, 0.44 mmol). The mixture was stirred at RT for 1 h. To it was added DIEA (0.20 mL, 1.1 mmol) and (R)-2-aminobutanamide hydrochloride (77 mg, 0.55 mmol). The mixture was stirred at 80° C. for 2.5 h. The mixture was cooled to RT, acidified with TFA (0.3 mL), diluted with water, filtered and subjected to reverse phase preparative HPLC to isolate the title compound (48 mg) as HCl salt. MS found for C15H19N7O2 as (M+H)+ 330.4. UV: λ=235, 278 nm. Proton NMR: (CD3OD) δ 7.60 (2H, d, J=8.0 Hz), 7.28 (2H, d, J=8.0 Hz), 4.40 (1H, dd, J=8.0; 5.2 Hz), 2.36 (3H, s), 2.00 (1H, m), 1.90 (1H, m), 1.05 (3H, t, J=7.2 Hz) ppm.
Herkunft & Nachweise
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patentnummer | US09040530B2 |
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| Quelldatensatz | uspto-grants-2015_05 |
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| ORD ID | ord-ff784fef541448fc99a72bc99a1ecc87 |
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| Quellennotiz | uspto-grants-2015_05 |
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