4-甲基伞形基乙酸酯
7-Acetoxy-4-methylcoumarin
CAS: 2747-05-9
Molecular Formula: C12H10O4
4-甲基伞形基乙酸酯 - Names and Identifiers
| Name | 7-Acetoxy-4-methylcoumarin |
| Synonyms | MU-AC MUACETATE MUB ACETATE 4-MU-ACETATE 7-Acetoxy-4-methylcoumarin 4-Methylumbeliferyl acetate 4-METHYLUMBELLIFERYL ACETATE 4-Methylumbelliferyl acetate ACETIC ACID 4-METHYLUMBELLIFERYL ESTER 4-methyl-2-oxo-2H-chromen-7-yl acetate 4-Methyl-2-oxo-2H-chromen-7-yl acetate 2-acetoxymethyl-5-(1,3-dioxolan-2-yl)furan 7-hydroxy-4-methyl-2H-chromen-2-yl acetate 2H-1-Benzopyran-2-one, 7-(acetyloxy)-4-methyl- |
| CAS | 2747-05-9 |
| EINECS | 220-386-6 |
| InChI | InChI=1/C12H12O4/c1-7-5-12(15-8(2)13)16-11-6-9(14)3-4-10(7)11/h3-6,12,14H,1-2H3 |
| InChIKey | HXVZGASCDAGAPS-UHFFFAOYSA-N |
4-甲基伞形基乙酸酯 - Physico-chemical Properties
| Molecular Formula | C12H10O4 |
| Molar Mass | 218.21 |
| Density | 1.1096 (rough estimate) |
| Melting Point | 149-150°C(lit.) |
| Boling Point | 278.88°C (rough estimate) |
| Flash Point | 141.2°C |
| Solubility | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| Vapor Presure | 8.68E-06mmHg at 25°C |
| Appearance | Solid |
| Color | White to Off-White |
| BRN | 189667 |
| Storage Condition | -20°C |
| Refractive Index | 1.4270 (estimate) |
| MDL | MFCD00006865 |
| Physical and Chemical Properties | Melting point 153-155 °c (99% of commercial). |
4-甲基伞形基乙酸酯 - 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 | 8-10-21 |
4-甲基伞形基乙酸酯 - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| use | pharmaceutical intermediate, used to produce antiallergic drug sodium cromoglycate. Used as a pharmaceutical intermediate |
| Production method | Resorcinol is obtained by cyclization and acetylation. Add ethyl acetoacetate and resorcinol in the reaction tank, stir and raise the temperature to 50 ℃ to dissolve, then add sulfuric acid (to prevent punching), and heat and reflux for 1h. Steam dry under reduced pressure, add ethyl acetoacetate, reflux for 1h, steam dry under reduced pressure. Add acetic anhydride and reflux for 1h. Cold to 80 ℃, slowly add ethanol, cold to 10 ℃, filter, wash the cake with ethanol to be neutral, and dry to obtain 7-acetoxy-4-methylcoumarin. Melting point 150-153 ℃ (ethanol mother liquor can be used as resorcinol after evaporation). |
Last Update：2024-04-09 20:49:11
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