559067
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:
Molecular Weight:
206.24
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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refractive index
n20/D 1.5315 (lit.)
Quality Level
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.[1]
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
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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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