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Methyl-2,5-dimethyl-3-furoat
METHYL 2,5-DIMETHYLFURAN-3-CARBOXYLATE · Einecs 228-155-1 · Methyl 2,5-dimethyl-3-furoate · Methyl 2,5-dimethyl-3-furancarboxylate · 3-Furoic acid, 2,5-dimethyl-, methyl ester · 2,5-Dimethylfuran-3-carboxylic acid methyl ester · 2,5-Dimethyl-3-furancarboxylic acid methyl ester · 3-Furancarboxylic acid, 2,5-dimethyl-, methyl ester
Identifikatoren & physikalische Daten
| CAS No. | 6148-34-1 |
|---|---|
| Summenformel | C8H10O3 |
| Durchschnittliche Molmasse | 154,16 g/mol |
| Monoisotopische Masse | 154,06299418 g/mol |
| SMILES | COC(=O)c1cc(C)oc1C |
| InChIKey | MNFOIGQBJZVPCS-UHFFFAOYSA-N |
| PubChem CID | 80248 |
| EC No. | 228-155-1 |
| DTXSID | DTXSID20210442 |
| Lokaler Name | Methyl-2,5-dimethyl-3-furoat |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 39,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 155 |
| Siedepunkt | 198 °C(lit.) |
| Dichte | 1.037 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.475(lit.) |
| Flammpunkt | 177 °F |
| Lagerbedingungen | Store at room temperature |
| BRN | 116271 |
| InChI | 1S/C8H10O3/c1-5-4-7(6(2)11-5)8(9)10-3/h4H,1-3H3 |
| InChIKey | MNFOIGQBJZVPCS-UHFFFAOYSA-N |
| SMILES | COC(=O)c1cc(C)oc1C |
| LogP (Verteilungskoeffizient) | 2.190 (est) |
Sicherheit & Vorschriften
| Regulatorische Informationen | Chemical: 3-Furancarboxylic acid, 2,5-dimethyl-, methyl ester |
|---|---|
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2932190090 |
| Sicherheitshinweise (S) | 23-24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Methyl 2,5-dimethyl-3-furoate is a reactant used in the new furan annulation via palladium-catalyzed reaction of 2-alkynyl carbonates or 2-(1-alkynyl)oxiranes with β-keto esters.