HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyloxoacetat
Acetic acid, oxo-, methyl ester · METHYL GLYOXYLATE · Methyl glyoxalate · GAME · Oxoacetic acid methyl ester · Methyl oxoacetate · Methyl 2-oxoacetate · methyl 2-oxoethanoate
Identifikatoren & physikalische Daten
| CAS No. | 922-68-9 |
|---|---|
| Summenformel | C3H4O3 |
| Durchschnittliche Molmasse | 88,06 g/mol |
| Monoisotopische Masse | 88,01604399 g/mol |
| SMILES | COC(=O)C=O |
| InChIKey | KFKXSMSQHIOMSO-UHFFFAOYSA-N |
| PubChem CID | 70205 |
| EC No. | 213-084-0 |
| DTXSID | DTXSID1052614 |
| Lokaler Name | Methyloxoacetat |
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 66,4 |
| Schmelzpunkt | 40-42°C |
| Siedepunkt | 102.98°C (rough estimate) |
| Dichte | 1.2076 (rough estimate) |
| Brechungsindex | 1.3720 (estimate) |
| Löslichkeit | sol H2Osol most organic solvents, e.g. ether, CH2Cl2, THF, acetone, etc. |
| InChI | InChI=1S/C3H4O3/c1-6-3(5)2-4/h2H,1H3 |
| InChIKey | KFKXSMSQHIOMSO-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)C=O |
| CAS Datenbank | 922-68-9(CAS DataBase Reference) |
| NIST chemische Informationen | Methyl glyoxylate(922-68-9) |
| EPA chemische Informationen | Acetic acid, oxo-, methyl ester (922-68-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.WarningH226 (50%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 4 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 (50%) |
| TSCA-Inventar-Status | TSCA listed |
| R-Sätze (R) | 36/37/38 |
| Sicherheitshinweise (S) | 26-36/37/39 |
Anwendungen & Verwendung
Verwenden
Methyl Glyoxylate is a useful compound for preparation of pyridine and quinoline derivatives.
Herstellung & Synthese
synthetische
Preparative Methods of Methyl 2-oxoacetate: efficient methods include oxidative cleavage of tartrate diesters, ozonolysis of maleate/fumarate derivatives, exchange reaction between appropriate dialkoxyacetate and glyoxylic acid, and NaOAc-catalyzed elimination of nitrite ion from nitrate esters.[1]