HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Pyrazinecarboxylic acid, 5-methyl-, methyl ester
Glipizide Impurity 45 · 5-Methylpyrazinecarboxylic · 5-Methylpyrazine-2-carboxylate · 3,5-dimethyl-2-pyrazinecarboxylate · 2-Methyl-5-(methoxycarbonyl)pyrazine · METHYL 5-METHYLPYRAZINE-2-CARBOXYLATE · Methyl 5-methyl-2-pyrazinecarboxylate · METHYL-2-METHYL-PYRAZINE-5-CARBOXYLATE
Identifikatoren & physikalische Daten
| CAS No. | 41110-33-2 |
|---|---|
| Summenformel | C7H8N2O2 |
| Durchschnittliche Molmasse | 152,15 g/mol |
| Monoisotopische Masse | 152,0585775 g/mol |
| SMILES | COC(=O)c1cnc(C)cn1 |
| InChIKey | CRBOSZMVDHYLJE-UHFFFAOYSA-N |
| PubChem CID | 465065 |
| ChEMBL | CHEMBL115764 |
| EC No. | 620-310-5 |
| DTXSID | DTXSID90332766 |
Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 149 |
| LogP (Verteilungskoeffizient) | 0.17 |
| Schmelzpunkt | 92 °C |
| Siedepunkt | 234.1±35.0 °C(Predicted) |
| Dichte | 1.169±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Dichloromethane, Methanol |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | -0.23±0.10(Predicted) |
| InChI | InChI=1S/C7H8N2O2/c1-5-3-9-6(4-8-5)7(10)11-2/h3-4H,1-2H3 |
| InChIKey | CRBOSZMVDHYLJE-UHFFFAOYSA-N |
| SMILES | C1(C(OC)=O)=NC=C(C)N=C1 |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.WarningH315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 07-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19667 |
| Hazard Classes and Categories | Skin Irrit. 2 (75%) |
| Zollcode | 2933998090 |
Anwendungen & Verwendung
Verwenden
Methyl 5-methylpyrazine-2-carboxylate is an intermediate in the synthesis of 4-[β-(5-Methylpyrazinyl-2-carboxamido)ethyl]benzene Sulfonamide which itself is an intermediate in the synthesis of Glipizide (G410225).