HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Ethyl (2Z)-2-methoxyimino-3-oxo-butanoate
Cefotaxime Impurity 2 · ethyl 2-methoxyimino-3-oxobutanoate · ethyl (2Z)-2-methoxyimino-3-oxo-butanoate · (Z)-ethyl 2-(methoxyimino)-3-oxobutanoate · 2-Methoxyimino-3-oxobutyric acid ethyl ester · 2，3-Dioxobutyric acid 2-methyloxime ethyl ester · 2-(Methoxyimino)-3-oxo-butanoic acid ethyl ester · Butanoic acid, 2-(methoxyimino)-3-oxo-, ethyl ester
Identifikatoren & physikalische Daten
| CAS No. | 60846-14-2 |
|---|---|
| Summenformel | C7H11NO4 |
| Durchschnittliche Molmasse | 173,17 g/mol |
| Monoisotopische Masse | 173,06880783 g/mol |
| SMILES | CCOC(=O)C(=NOC)C(C)=O |
| InChIKey | HASOOENYFDJEAK-UHFFFAOYSA-N |
| PubChem CID | 43493 |
| DTXSID | DTXSID101287171 |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 65 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 209 |
| Siedepunkt | 218.0±23.0 °C(Predicted) |
| Dichte | 1.11±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Chloroform, DMSO, Methanol |
| Aggregatzustand | Oil |
| Farbe | Light Orange to Orange |
| InChI | InChI=1S/C7H11NO4/c1-4-12-7(10)6(5(2)9)8-11-3/h4H2,1-3H3 |
| InChIKey | HASOOENYFDJEAK-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)C(=NOC)C(=O)C |
Anwendungen & Verwendung
Verwenden
2-(Methoxyimino)-3-oxo-butanoic Acid Ethyl Ester (E/Z-Mixture) is the alternate form of (Z)-2-(Methoxyimino)-3-oxo-butanoic Acid Ethyl Ester (M313255), which is an intermediate in the synthesis of (E)-Cefodizime (C242880). (E)-Cefodizime can be obtained from Ethyl Acetate (E899545), a chemical intermediate used in the production of various analgesics, antibiotics and anti-malarial agents.