| CAS No.: | 105-45-3 |
|---|---|
| Formula: | C5h8o3 |
| EINECS: | 203-299-8 |
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| Methyl acetoacetate | |||||
| 3-Oxobutanoic Acid Methyl Ester is a chemical reagent used in the synthesis of pharmaceuticals. It participates in the Biginelli reaction, forming molecules including dihydropyrimidinones. | |||||
| Bacis information | |||||
| CAS | 105-45-3 | ||||
| English alias | Methyl 3-oxobutanoate;Butanoic acid, 3-oxo-, methyl ester;methyl 3-oxobutanoate;3-Oxobutyric acid methyl ester;Acetoacetic Acid Methyl Ester;Methyl 3-Oxobutyrate | ||||
| Molecular formula | C5H8O3 | ||||
| Molecular weight | 116.115 | ||||
| Accurate mass | 116.047 | ||||
| Psa | 43.37 | ||||
| Logp | 0.1385 | ||||
| Numbering system | |||||
| UNII | |||||
| BRN number | 506727 | ||||
| EINECS number | 203-299-8 | ||||
| MDL number | MFCD00008784 | ||||
| RTECS number | AK5775000 | ||||
| PubChem number | |||||
| Physicochemical property | |||||
| Appearance and properties | Colorless liquid | ||||
| Density | 1.077 | ||||
| Boiling point | 169-170°C70mm Hg(lit.) | ||||
| Melting point | -28 °C | ||||
| Freezing point | |||||
| Flash point | 158°F | ||||
| Refractive index | n20/D 1.419(lit.) | ||||
| Water solubility | 460 g/L (20 ºC) | ||||
| Stability | Stable under normal temperatures and pressures. | ||||
| Storage conditions | Store in a cool, dry place. Keep container closed when not in use. | ||||
| Safety information | |||||
| RTECS number | AK5775000 | ||||
| Security description | S26 | ||||
| Danger category code | R36 | ||||
| WGK germany | 1 | ||||
| Dangerous goods transport code | |||||
| Customs code | 2918300090 | ||||
| Danger mark | Xi | ||||
| Production method and use | |||||
| Production method | It is prepared by the reaction of diketene with methanol. Diketene and methanol were esterified with concentrated sulfuric acid as catalyst, and then the finished product was obtained by crude fractionation and rectification. Diketene is produced by cleavage of acetic acid. Refining method: In addition to containing free acids and alcohols, it also contains impurities such as acetone. When refining, it is dried with potassium carbonate or anhydrous sodium sulfate and then distilled under vacuum. | ||||
| Use | It is used as a component of cellulose ether ester mixed solvent for the synthesis of pyrazoldone drugs and B vitamins | ||||
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