7-Acetoxy-4-methylcoumarin
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7-Acetoxy-4-methylcoumarin
structure -
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CAS No:
2747-05-9
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Formula:
C12H10O4
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Chemical Name:
7-Acetoxy-4-methylcoumarin
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Synonyms:
MUB ACETATE;MU-AC;MUACETATE;2H-1-Benzopyran-2-one, 7-(acetyloxy)-4-methyl-;4-Methyl-2-oxo-2H-chromen-7-yl acetate;ACETIC ACID 4-METHYLUMBELLIFERYL ESTER;4-MU-ACETATE;4-METHYLUMBELLIFERYL ACETATE
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CAS No:
Description
beige crystalline flakes and needles
Solid
4-methylumbelliferyl acetate is an acetate ester consiting of umbelliferone carrying a 7-O-acetyl group. It has a role as a plant metabolite. It is an acetate ester and a member of coumarins. It derives from an umbelliferone.
7-Acetoxy-4-methylcoumarin Basic Attributes
218.21
218.21
189667
220-386-6
688806|44763|31658|1059
DTXSID70181895
White to Off-White
2932209090
Characteristics
52.6
2.02670
Solid
1.1096 (rough estimate)
149-150 °C(lit.)
278.88°C (rough estimate)
191.5ºC
1.4270 (estimate)
355.3 mg/L @ 25 °C (est)
−20°C
-20°C
Safety Information
NONH for all modes of transport
3
Xi
26-36
Xi
P261-P305 + P351 + P338
36/37/38
|Warning|H315 (97.56%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
7-Acetoxy-4-methylcoumarin Use and Manufacturing
Resorcinol is obtained by cyclization and acetylation. Add ethyl acetoacetate and resorcinol to the reaction tank, stir and heat to 50°C to dissolve, then add sulfuric acid (to prevent punching), and heat to reflux for 1h. Evaporate to dryness under reduced pressure, add ethyl acetoacetate, reflux for 1h, evaporate to dryness under reduced pressure. Add acetic anhydride and reflux for 1h. Cool to 80 ℃, slowly add ethanol, cool to 10 ℃, spin filter, the filter cake is washed with ethanol until neutral, and dried to obtain 7-acetoxy-4-methyl coumarin. Melting point 150-153℃ (resorcinol can be used as feed after the ethanol mother liquor is evaporated).
Fluorogenic substrate for esterases, broadly applied to various types of esterases., including carboxyesterases. Measurement of intracellular pH in rat proximal convoluted tubule.
Computed Properties
Molecular Weight:218.20
XLogP3:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:218.05790880
Monoisotopic Mass:218.05790880
Topological Polar Surface Area:52.6
Heavy Atom Count:16
Complexity:345
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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