HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Methoxycyclopent-2-en-1-one
3-Methoxycyclopent-2-enone · 3-Methoxy-2-cyclopentenone · 3-Methoxy-2-cyclopenten-1-one · 2-Cyclopenten-1-one, 3-methoxy- · 3-Methoxy-2-cyclopenten-1-one 99%
Identifikatoren & physikalische Daten
| CAS No. | 4683-50-5 |
|---|---|
| Summenformel | C6H8O2 |
| Durchschnittliche Molmasse | 112,13 g/mol |
| Monoisotopische Masse | 112,0524295 g/mol |
| SMILES | COC1=CC(=O)CC1 |
| InChIKey | DTWCFCILAJVNPE-UHFFFAOYSA-N |
| PubChem CID | 643476 |
| EC No. | 960-614-8 |
| DTXSID | DTXSID90349192 |
Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 135 |
| Schmelzpunkt | 49-53 °C (lit.) |
| Siedepunkt | 214.9±29.0 °C(Predicted) |
| Dichte | 1.06±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | solid |
| InChI | 1S/C6H8O2/c1-8-6-3-2-5(7)4-6/h4H,2-3H2,1H3 |
| InChIKey | DTWCFCILAJVNPE-UHFFFAOYSA-N |
| SMILES | COC1=CC(=O)CC1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2914500090 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3-Methoxy-2-cyclopenten-1-one (3-methoxycyclopent-2-enone) may be used in the following studies:Synthesis of 3-cyclopentyl-2-cyclopenten-1-one.As a starting material in the synthesis of 3-alkyl-2-aryl-2-cyclopenten-1-one oxime derivatives and kjellmanianone, an antibiotic.As one of the reagent in the synthesis of 3-aryl enones.Preparation of 1:1 diastereomeric mixture of TBS (tert-butyldimethylsilyl)-protected enones.