HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Isoxazoline
Isoxazoline · 2-Isoxazoline · 4,5-Dihydroisoxazole · Isoxazole, 4,5-dihydro-

Identifikatoren & physikalische Daten
| CAS No. | 504-73-4 |
|---|---|
| Summenformel | C3H5NO |
| Durchschnittliche Molmasse | 71,08 g/mol |
| Monoisotopische Masse | 71,03711378 g/mol |
| SMILES | C1=NOCC1 |
| InChIKey | WEQPBCSPRXFQQS-UHFFFAOYSA-N |
| PubChem CID | 12304501 |
| DTXSID | DTXSID90486713 |
Chemische & physikalische Eigenschaften
| XLogP | -0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 21,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 50 |
| Siedepunkt | 73.8±23.0 °C(Predicted) |
| Dichte | 1.13±0.1 g/cm3(Predicted) |
Anwendungen & Verwendung
Beschreibung
4,5-Dihydroisoxazoles (2-isoxazolines) contain an O-alkyl oxime moiety within a five-membered ring. These heterocycles draw tremendous interest as structural motifs of biologically active compounds and have established their position as synthons in synthetic organic chemistry. The compounds belonging to this class demonstrated their capacity to mask other functional groups for further functionalization of the ring to generate a variety of organic molecules.