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Safety Information

559067

Sigma-Aldrich

Ethyl (4-methylbenzoyl)acetate

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
MDL number:
MFCD03424815
UNSPSC Code:
12352100
PubChem Substance ID:
24879791
NACRES:
NA.22

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

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 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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

559067-BULK:
559067-VAR:
559067-1G:
559067-5G:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCD0558
MKBJ8474V
05507KJ
05207CJ
12622HH

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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)

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