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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
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
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 Code
12 - Non 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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