Description
Ethyl 3-oxo-4-phenylbutanoate
Ethyl 3-oxo-4-phenylbutanoate is a beta-keto ester chemical intermediate with the formula C₁₂H₁₄O₃. It is widely used in scientific research and pharmaceutical manufacturing to build complex organic molecules, antiviral pyrazolone derivatives, and gene-expression inhibitors.
Uses and Applications
- Pharmaceutical Synthesis: Acts as a key building block for creating specialized therapeutic compounds and protein degrader building blocks.
- Active Ingredient Research: Utilized to synthesize pyrazolone derivatives aimed at antiviral or antiprion activities, as well as analogs that inhibit specific gene expressions (such as AP-1 and NF-κB).
- Laboratory Reagent: Handled under controlled conditions for organic synthesis reactions requiring reactive beta-keto ester segments.
Chemical Identity & Properties
CAS Number: 718-08-1
Purity: 95%
Molecular Weight: 206.241
IUPAC / Synonyms: Ethyl 3-oxo-4-phenylbutanoate, Ethyl 4-phenylacetoacetate, Benzenebutanoic Acid, Beta-Oxo-, Ethyl Ester3-Oxo-4-Phenyl-Butyric Acid Ethyl Ester,
Canonical Smiles: CCOC(=O)CC(=O)CC1=CC=CC=C1
InChI Code: InChI=1S/C12H14O3/c1-2-15-12(14)9-11(13)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChI Key: BOZNWXQZCYZCSH-UHFFFAOYSA-N
Physical State: Colorless to Pale-yellow to Yellow-brown Liquid
MDL Number: MFCD03844818
Molecular Formula: C12H14O3
UNSPSC Code : 12352005
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