Ethyl 2-methyl-β-oxobenzenepropanoate
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Ethyl 2-methyl-β-oxobenzenepropanoate
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CAS No:
51725-82-7
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Formula:
C12H14O3
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Chemical Name:
Ethyl 2-methyl-β-oxobenzenepropanoate
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Synonyms:
Benzenepropanoic acid,2-methyl-β-oxo-,ethyl ester;Ethyl 2-methyl-β-oxobenzenepropanoate;Ethyl 2-methylbenzoylacetate;Ethyl o-methylbenzoylacetate;Ethyl o-toluoylacetate;Ethyl 3-(2-methylphenyl)-3-oxopropanoate;Ethyl 2-(2-methylbenzoyl)acetate;Ethyl 3-oxo-3-(o-tolyl)propanoate;3-(2-Methylphenyl)-3-oxopropanoic acid ethyl ester;3-Oxo-3-o-tolyl-propionic acid ethyl ester
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CAS No:
Characteristics
43.37000
2.13090
1.069 g/mL at 25 °C(lit.)
103-105 °C @ Press: 0.4 Torr
122.4ºC
n20/D 1.5255(lit.)
10.00±0.46
Ethyl 2-methyl-β-oxobenzenepropanoate Use and Manufacturing
Reactant for:• ;Preparation of highly substituted furans by tandem condensation-cyclization reactions using bismuth triflate catalyst1• ;Co/Mn-mediated oxidative cross-coupling2• ;Enantioselective ruthenium-catalyzed hydrogenation3• ;Preparation of cambinol analogs for sirtuin inhibition with antitumor action4
Computed Properties
Molecular Weight:206.24
XLogP3:2.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:206.094294304
Monoisotopic Mass:206.094294304
Topological Polar Surface Area:43.4
Heavy Atom Count:15
Complexity:235
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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