41051-15-4
methyl 4-methoxy-3-oxobutyrate
CAS: 41051-15-4
Molecular Formula: C6H10O4
41051-15-4 - Names and Identifiers
| Name | methyl 4-methoxy-3-oxobutyrate |
| Synonyms | Methyl methoxyacetoacetate METHYL 4-METHOXYACETOACETATE Methyl-4-methoxyacetoacetate Methyl-4-methoxyacetoacetate methyl 4-methoxy-3-oxobutyrate METHYL 4-METHOXYACETOXYACETATE methyl 4-methoxy-3-oxobutanoate METHYL 4-METHOXY-3-OXO-BUTANOATE 4-METHOXYACETOACETIC ACID METHYL ESTER 4-methoxy-3-oxo-butanoicacimethylester Butanoic acid, 4-methoxy-3-oxo-, methyl ester N-(3-methylphenyl)-N-(phenylmethyl)-2-(1-piperidinyl)acetamide hydrochloride |
| CAS | 41051-15-4 |
| EINECS | 255-188-9 |
| InChI | InChI=1/C6H10O4/c1-9-4-5(7)3-6(8)10-2/h3-4H2,1-2H3 |
| InChIKey | QGBPKJFJAVDUNC-UHFFFAOYSA-N |
41051-15-4 - Physico-chemical Properties
| Molecular Formula | C6H10O4 |
| Molar Mass | 146.14 |
| Density | 1.129 g/mL at 25 °C (lit.) |
| Melting Point | -80℃ |
| Boling Point | 89 °C/8.5 mmHg (lit.) |
| Flash Point | 193°F |
| Vapor Presure | 0.146mmHg at 25°C |
| Appearance | clear liquid |
| Specific Gravity | 1.129 |
| Color | Colorless to Light yellow to Light orange |
| BRN | 1761215 |
| pKa | 9.88±0.46(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.431(lit.) |
| Physical and Chemical Properties | Colorless transparent liquid, with aromatic flavor. Miscible with ethanol and ether, slightly soluble in water. |
41051-15-4 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 10 |
| HS Code | 29189900 |
41051-15-4 - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| application | methyl 4-methoxyacetoacetate is used as an intermediate in medicine and pesticide, and is mainly used in the synthesis of dotrevir sodium in the laboratory research and development process and chemical and pharmaceutical production. |
| Preparation | A method for preparing methyl 4-methoxyacetoacetate, which is characterized in that it comprises the following steps: adding a solvent tetrahydrofuran into a reaction kettle and introducing an inert gas, setting the temperature in the reaction kettle to be 15-25°C, adding industrial sodium hydride and metal basic compounds in a stirred state, and then adding the solvent tetrahydrofuran, the mixed solution of methanol and methyl 4-chloroacetoacetate is added dropwise below 20°C to react for 4-6h, then the temperature is raised to 20-25°C to continue the reaction for 4-15h,TLC detection is completed, the system temperature is reduced to 6-10°C, hydrochloric acid solution with a molar concentration of 2mol/L is added to adjust the pH of the system to 5-7, standing for stratification, and the upper layer is concentrated and dried to remove the solvent tetrahydrofuran after liquid separation, then the colorless product 4-methoxyacetoacetate is obtained by scraping film molecular distillation, wherein the parameters of scraping film molecular distillation are set to temperature 40-50°C, vacuum degree 25-35Pa, 4-chloroacetoacetate The molar ratio of methyl ester, sodium hydride and metal basic compound is 1:1-1. 5:1-1. 5, and the metal basic compound is potassium methoxide, sodium methoxide, sodium ethoxide, potassium borohydride or sodium borohydride. |
| Use | Used as an intermediate in medicine and pesticide An intermediate used in the synthesis of dotrevir sodium |
Last Update：2024-04-09 20:49:11
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