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559180 Sigma-Aldrich

Ethyl (3-methylbenzoyl)acetate

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

  • Linear Formula CH3C6H4COCH2CO2CH2CH3

  • Molecular Weight 206.24

  •  MDL number MFCD03424816

  •  PubChem Substance ID 24879802

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C12 to C63, Carbonyl Compounds, Chemical Synthesis, Esters,
Quality Level   100
refractive index   n20/D 1.5290 (lit.)
bp   273-274 °C (lit.)
density   1.083 g/mL at 25 °C (lit.)
SMILES string   CCOC(=O)CC(=O)c1cccc(C)c1
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

Description

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

Safety & Documentation

Safety Information

Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

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