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559148

Ethyl (2-methylbenzoyl)acetate

Name: Ethyl (2-methylbenzoyl)acetate
Brand: ALDRICH

97%

Synonym(s):

Ethyl 2-(2-methylbenzoyl)acetate, Ethyl 3-(2-methylphenyl)-3-oxopropanoate, Ethyl 3-oxo-3-(o-tolyl)propanoate, Ethyl o-methylbenzoylacetate, Ethyl o-toluoylacetate

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About This Item

Linear Formula:

CH₃C₆H₄COCH₂CO₂CH₂CH₃

CAS Number:

51725-82-7

Molecular Weight:

206.24

NACRES:

NA.22

PubChem Substance ID:

24879799

UNSPSC Code:

12352100

MDL number:

MFCD03424817

Assay:

97%

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Properties

assay

97%

refractive index

n20/D 1.5255 (lit.)

bp

256-257 °C (lit.)

density

1.069 g/mL at 25 °C (lit.)

SMILES string

CCOC(=O)CC(=O)c1ccccc1C

InChI

1S/C12H14O3/c1-3-15-12(14)8-11(13)10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3

InChI key

UNULPFKXRJPSCO-UHFFFAOYSA-N

Description

General description

Ethyl (2-methylbenzoyl)acetate is a β-keto ester. It undergoes Co/Mn mediated oxidative coupling reaction with various indole derivatives.

Application

Reactant for:

Preparation of highly substituted furans by tandem condensation-cyclization reactions using bismuth triflate catalyst
Co/Mn-mediated oxidative cross-coupling
Enantioselective ruthenium-catalyzed hydrogenation
Preparation of cambinol analogs for sirtuin inhibition with antitumor action

Storage Class

12 - Non Combustible Liquids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves

Regulatory Information

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Co/Mn-mediated oxidative cross-coupling of indoles with ?-keto esters via dioxygen activation: an efficient access to ketonization-olefination of indoles.

Wu W, et al.

Chemical Communications (Cambridge, England), 47(34), 9660-9662 (2011)

Global Trade Item Number

SKU	GTIN
559148-1G	04061825586199