30414-54-1
Butyrylacetic acid methyl ester
CAS: 30414-54-1
Molecular Formula: C7H12O3
30414-54-1 - Names and Identifiers
30414-54-1 - Physico-chemical Properties
| Molecular Formula | C7H12O3 |
| Molar Mass | 144.17 |
| Density | 1.017g/mLat 20°C(lit.) |
| Melting Point | -43°C |
| Boling Point | 85-88°C25hPa(lit.) |
| Flash Point | 90°C |
| Vapor Presure | 0.475mmHg at 25°C |
| BRN | 636165 |
| pKa | 10.67±0.46(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.4260 |
30414-54-1 - Risk and Safety
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
30414-54-1 - Reference Information
| introduction | methyl n-butyloacetate is an organic intermediate, which has been reported in the literature to be used to prepare 4(3H)-quinazolinone derivatives. 4(3H)-quinazolinone derivatives are a class of nitrogen-containing heterocyclic compounds with good biomedical activity in anti-cancer, anti-hypertension, anti-diabetes, anti-inflammatory, bactericidal, analgesic, etc. |
| preparation | at 0 ℃, to 2,2-dimethyl -1,3-dioxane -4,6-dione (22.14g,153.58mmol) and pyridine (25.0mL, butyl chloride (18.0g,168.94mmol) in CHCl3(50mL) was dropped in a stirring solution of 307.2mmol) in CHCl3(250mL) and stirred for 1 hour. The reaction mixture is heated to ambient temperature and stirred overnight. 1N HCl aqueous solution (150mL) was added and the resulting mixture was then extracted with CHCl3(3 × 150mL). The combined organic layer was washed with water (2 × 100mL), dried by Na2SO4, filtered and concentrated. CH3OH(250mL) was added, and the solution was heated to 80°C and refluxed for 3 hours. Concentrated under reduced pressure and distilled to obtain the title compound, which is a yellow liquid in yield (17.6g). |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
Last Update：2024-04-09 01:59:59
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