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| CAS No.: | 2747-05-9 |
|---|---|
| Name: | 7-Acetoxy-4-methylcoumarin |
| Article Data: | 50 |
| Molecular Structure: | |
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| Formula: | C12H10 O4 |
| Molecular Weight: | 218.209 |
| Synonyms: | Coumarin,7-hydroxy-4-methyl-, acetate (7CI,8CI); Umbelliferone, 4-methyl-, acetate(6CI); 4-Methyl-7-acetoxycoumarin; 4-Methylumbelliferone 7-acetate;4-Methylumbelliferone acetate; 4-Methylumbelliferyl acetate;7-(Acetyloxy)-4-methyl-2H-1-benzopyran-2-one; 7-(Acetyloxy)-4-methylcoumarin;7-Acetoxy-4-methylcoumarin; 7-Hydroxy-4-methylcoumarin acetate; NSC 1059; NSC 31658;NSC 44763; NSC 688806; b-Methylumbelliferone acetate |
| EINECS: | 220-386-6 |
| Density: | 1.263g/cm3 |
| Melting Point: | 149-150 ºC |
| Boiling Point: | 371.4°Cat760mmHg |
| Flash Point: | 191.5°C |
| Appearance: | beige crystalline flakes and needles |
| Hazard Symbols: |
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| Risk Codes: | R36/37/38 |
| Safety: | S26;S36 |
| PSA: | 56.51000 |
| LogP: | 2.02670 |
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Chemistry
MF: C12H10O4
MW: 218.21
EINECS: 220-386-6
Storage temp: −20°C
Density: 1.263 g/cm3
Flash Point: 191.5 °C
Product Categories: Coumarin
Index of Refraction: 1.559
Melting Point: 149-150 °C(lit.)
Enthalpy of Vaporization: 61.85 kJ/mol
Boiling Point: 371.4 °C at 760 mmHg
Vapour Pressure: 1.03E-05 mmHg at 25°C
Appearance: beige crystalline flakes and needles
IUPAC Name: (4-methyl-2-oxochromen-7-yl) acetate
Synonyms: MUB Acetate ; MU-AC ; Muacetate ; 2H-1-benzopyran-2-one, 7-(acetyloxy)-4-methyl- ; 4-Methyl-2-oxo-2h-chromen-7-yl acetate ; 7-Acetoxy-4-methylcoumarin ; 7-(Acetyloxy)-4-methyl-2-benzopyrone ; Acetic acid 4-methylumbelliferyl ester
Following is the molecular structure of 7-Acetoxy-4-Methylcoumarin (CAS NO.2747-05-9):
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Uses
As a Pharmaceutical intermediates,7-Acetoxy-4-Methylcoumarin (CAS NO.2747-05-9) is used for the production of anti-allergy cromolyn sodium.
Production
Resorcinol derived 7-Acetoxy-4-Methylcoumarin (CAS NO.2747-05-9) by cyclization, acetylation . In the reaction tank by adding ethyl acetoacetate and resorcinol, stirring heated to 50 ℃ dissolved, then add sulfuric acid (to prevent the red material), heating reflux 1h. Vacuum evaporated, add acetyl ethyl acetate, reflux 1h, vacuum evaporated. Adding acetic anhydride, reflux 1h. Cooling to 80 ℃, slowly adding ethanol and cooling to 10 ℃, rejection filter, filter cake washed with ethanol to neutral, drying was 7 - Acetoxy -4 - methyl-coumarin. Melting point 150-153 ℃ (ethanol liquor evaporated and resorcinol can be used for post-cast material).
Safety Profile
Safety Information of 7-Acetoxy-4-Methylcoumarin (CAS NO.2747-05-9):
Hazard Codes: Xi 
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
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