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Ethyl (3-methylbenzoyl)acetate

ALDRICH/559180

Synonym: 3-Oxo-3-(m-tolyl)propionic acid ethyl ester; Ethyl 2-(3-methylbenzoyl)acetate; Ethyl 3-oxo-3-(m-tolyl)propanoate; Ethyl 3-oxo-3-(m-tolyl)propionate; Ethyl m-methylbenzoylacetate; Ethyl m-toluoylacetate

CAS Number: 33166-79-9
Empirical Formula (Hill Notation): C12H14O3
Molecular Weight: 206.24
MDL Number: MFCD03424816
Linear Formula: CH3C6H4COCH2CO2CH2CH3
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-559180-1G 1 g
 $127.00
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bp 273-274 °C (lit.)
density 1.083 g/mL at 25 °C (lit.)
functional group ester
  ketone
InChI 1S/C12H14O3/c1-3-15-12(14)8-11(13)10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3
InChI key LLFKVNDSLHMEQC-UHFFFAOYSA-N
Quality Level 100 
refractive index n20/D 1.5290 (lit.)
SMILES string CCOC(=O)CC(=O)c1cccc(C)c1
Application: Reactant for:
• Stereoselective ketonization-olefination of indoles by Co/Mn-mediated oxidative cross-coupling of indoles via dioxygen activation
• Enantioselective Michael reaction
• SEGPhos-ruthenium-catalyzed asymmetric hydrogenation
Packaging: 1 g in glass bottle
RIDADR NONH for all modes of transport
WGK Germany WGK 3
Flash Point(F) Not applicable
Flash Point(C) Not applicable
bp 273-274 °C (lit.)
Density 1.083 g/mL at 25 °C (lit.)
Refractive Index n20/D 1.5290 (lit.)
UNSPSC 12352100

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