HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Methoxy-1-Pyrroline
3,4-dihydro-5-methoxy-2H-Pyrrole · c-C4H6N(2-OCH3) · 2-methoxypyrrole · AKOS BBS-00007016 · 2-METHOXY-1-PYRROLINE · Tipiracil Impurity 16 · 2-Methoxy-1-pyrrolidine · Piracetam EP Impurity 5
Identifikatoren & physikalische Daten
| CAS No. | 5264-35-7 |
|---|---|
| Summenformel | C5H9NO |
| Durchschnittliche Molmasse | 99,13 g/mol |
| Monoisotopische Masse | 99,06841391 g/mol |
| SMILES | COC1=NCCC1 |
| InChIKey | QYGNDKJRRNVSEC-UHFFFAOYSA-N |
| PubChem CID | 353443 |
| EC No. | 671-815-2 |
| DTXSID | DTXSID90326564 |
Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 21,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 88,1 |
| Siedepunkt | 118-121 °C |
| Dichte | 1.05±0.1 g/cm3(Predicted) |
| Brechungsindex | 1.4375 |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 6.29±0.20(Predicted) |
| InChI | InChI=1S/C5H9NO/c1-7-5-3-2-4-6-5/h2-4H2,1H3 |
| InChIKey | QYGNDKJRRNVSEC-UHFFFAOYSA-N |
| SMILES | N1=C(OC)CCC1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (33.3%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (33.3%) |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
2-Methoxy-1-pyrroline acts as a reagent in the design and preparation of dihydroindolones and dihydroindolizinones as orally available MEK inhibitors with potent in vivo antitumor efficacy. Synthesis and anti-HSV activity of methylenedioxy mappicine ketone analogs against herpes viruses.