HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl isoxazole-5-carboxylate
methyl oxazole-5-carboxylate · AKOS PAO-1372 · methyl 5-isoxazolcarboxylate · METHYL ISOXAZOLE-5-CARBOXYLATE · methyl 1,2-oxazole-5-carboxylate · ISOXAZOLE-5-CARBOXYLIC ACID METHYL ESTER · 5-Isoxazolecarboxylic acid, Methyl ester · methyl isoxazole-5-carboxylate - [M83091]
Identifikatoren & physikalische Daten
| CAS No. | 15055-81-9 |
|---|---|
| Summenformel | C5H5NO3 |
| Durchschnittliche Molmasse | 127,1 g/mol |
| Monoisotopische Masse | 127,02694302 g/mol |
| SMILES | COC(=O)c1ccno1 |
| InChIKey | ILPCPKZAAQXHKL-UHFFFAOYSA-N |
| PubChem CID | 2736892 |
| DTXSID | DTXSID20371683 |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 115 |
| Schmelzpunkt | 48-51 |
| Siedepunkt | 203.9±13.0 °C(Predicted) |
| Dichte | 1.229±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Store at room temperature |
| pKa (Säurekonstante) | -3.88±0.50(Predicted) |
Sicherheit & Vorschriften
| Zollcode | 2934999090 |
|---|---|
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 22-24/25 |
Anwendungen & Verwendung
Verwenden
5-Isoxazolecarboxylic Acid Methyl Ester is used as a reagent in the synthesis of pyridine derivatives as integrase inhibitors and antiviral agents. 5-Isoxazolecarboxylic Acid Methyl Ester is also a useful synthetic intermediate in the preparation of pyrazolopyrimidine derivatives useful in the prevention and treatment of cancer.