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Ethyl (4-methylbenzoyl)acetate

ALDRICH/559067

Synonym: Ethyl 3-(4-methylphenyl)-3-oxopropanoate; Ethyl 3-oxo-3-(4-tolyl)propionate; NSC 158544

CAS Number: 27835-00-3
Empirical Formula (Hill Notation): C12H14O3
Molecular Weight: 206.24
MDL Number: MFCD03424815
Linear Formula: CH3C6H4COCH2CO2CH2CH3
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-559067-1G 1 g
 $0.00
1/EA
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45-559067-5G 5 g
 $309.00
1/EA		 Add To Favorites

 

bp 244-245 °C (lit.)
density 1.056 g/mL at 25 °C (lit.)
InChI 1S/C12H14O3/c1-3-15-12(14)8-11(13)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChI key GEQMJBPKCOZHMV-UHFFFAOYSA-N
refractive index n20/D 1.5315 (lit.)
SMILES string CCOC(=O)CC(=O)c1ccc(C)cc1
Application: Ethyl (4-methylbenzoyl)acetate may be used to synthesize 2-(carboethoxy)-3-(4′-methyl)phenylquinoxaline 1,4-dioxide.
Application: Reactant involved in:
• Oxidative cross-coupling with indoles
• Electrophilic / nucleophilic halogenation
• Cyclization with alkynyl ketones
• Lewis base catalyzed hydrosilylation
• Stereoselective reduction
• Intramolecular Michael addition reactions
Packaging: 1, 5 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 244-245 °C (lit.)
Density 1.056 g/mL at 25 °C (lit.)
Refractive Index n20/D 1.5315 (lit.)
UNSPSC 12352100

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