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Key Documents

559180

Sigma-Aldrich

Ethyl (3-methylbenzoyl)acetate

Synonym(s):

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

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About This Item

Linear Formula:
CH3C6H4COCH2CO2CH2CH3
CAS Number:
Molecular Weight:
206.24
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

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

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

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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