HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 178478261, Verbindung → Trifluoroacetate
Beteiligte Stoffe
| Rolle | Name | HCID | Einwaage |
|---|---|---|---|
| Edukt | HCID 178478261 | HCID 178478261 | — |
| Katalysator | Palladium | HCID 23938 | — |
| Lösungsmittel | Ethanol | HCID 702 | — |
| Produkt | Trifluoroacetate | HCID 84468 | 66,9% |
| Produkt | 6-Chloro-2,4,8,22-tetraazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaene Trifluoroacetate | HCID 66897771 | — |
Reaktionsschritte
To a solution of (14Z)-6-chloro-2,4,8,22-tetraazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,14,16,18-decaene trifluoroacetate (21 mg, 0.045 mmol) in ethanol (1 mL) was added 5% palladium on carbon (5 mg) and the mixture was purged and degassed with hydrogen three times. The mixture was stirred for 1 hour with balloon pressure of hydrogen. Filtration through celite and purification by preparative LCMS (pH 2) gave the desired product as a trifluoroacetate salt (1.7 mg, 30%). LCMS for C18H16ClN4 (M+H)+: m/z=323.1. 1H NMR (400 MHz, CD3OD): δ 7.75 (m, 2H), 7.30 (m, 1H), 7.22 (m, 1H), 7.12 (m, 1H), 7.03 (m, 2H), 6.90 (m, 1H), 3.00 (s, 4H).
Herkunft & Nachweise
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patentnummer | US08871753B2 |
| Quelldatensatz | uspto-grants-2014_10 |
| ORD ID | ord-5e944b03bc7448f8853db8102b68e694 |
| Quellennotiz | uspto-grants-2014_10 |