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559067

Ethyl (4-methylbenzoyl)acetate

Name: Ethyl (4-methylbenzoyl)acetate
Brand: ALDRICH

Synonym(s):

Ethyl 3-(4-methylphenyl)-3-oxopropanoate, Ethyl 3-oxo-3-(4-tolyl)propionate, NSC 158544

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About This Item

Linear Formula:

CH₃C₆H₄COCH₂CO₂CH₂CH₃

CAS Number:

27835-00-3

Molecular Weight:

206.24

NACRES:

NA.22

PubChem Substance ID:

24879791

UNSPSC Code:

12352100

MDL number:

MFCD03424815

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Properties

refractive index

n20/D 1.5315 (lit.)

Quality Level

100

bp

244-245 °C (lit.)

density

1.056 g/mL at 25 °C (lit.)

functional group

ester, ketone

SMILES string

CCOC(=O)CC(=O)c1ccc(C)cc1

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

Description

Application

Ethyl (4-methylbenzoyl)acetate may be used to synthesize 2-(carboethoxy)-3-(4′-methyl)phenylquinoxaline 1,4-dioxide.

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

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves

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Comparative Use of Solvent-free KF-Al2O3 and K2CO3 in Acetone in the Synthesis of Quinoxaline 1, 4-Dioxide Derivatives Designed as Antimalarial Drug Candidates.

Lima LM, et al.

Journal of Heterocyclic Chemistry, 42(7), 1381-1385 (2005)

Global Trade Item Number

SKU	GTIN
559067-1G	04061825586144
559067-5G	04061831821376