CAS 718-08-1

Ethyl 3-oxo-4-phenylbutanoate

Description:

Ethyl 3-oxo-4-phenylbutanoate, with the CAS number 718-08-1, is an organic compound that belongs to the class of esters. It is characterized by its ester functional group, which is derived from the reaction of an alcohol (in this case, ethanol) and a carboxylic acid. The compound features a phenyl group, which contributes to its aromatic properties, and a keto group (3-oxo) that enhances its reactivity and potential for further chemical transformations. Ethyl 3-oxo-4-phenylbutanoate is typically a colorless to pale yellow liquid with a pleasant odor, making it useful in various applications, including flavoring and fragrance industries. It is also of interest in synthetic organic chemistry for its potential as an intermediate in the synthesis of more complex molecules. The compound is soluble in organic solvents and may exhibit moderate stability under standard conditions, although it should be handled with care due to potential reactivity associated with its functional groups.

Formula: C₁₂H₁₄O₃

InChI: InChI=1/C12H14O3/c1-2-15-12(14)9-11(13)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3

SMILES: CCOC(=O)CC(=O)Cc1ccccc1

Synonyms:

• Benzenebutanoic Acid, Beta-Oxo-, Ethyl Ester
• 3-Oxo-4-Phenyl-Butyric Acid Ethyl Ester

Ethyl 3-oxo-4-phenylbutanoate

CAS: 718-08-1

Ethyl 3-oxo-4-phenylbutanoate

Purity: 95%

Molecular weight: 206.24g/mol

Ref: 54-OR89843

Ethyl 4-Phenylacetoacetate

Controlled Product

CAS: 718-08-1

Applications Ethyl 4-Phenylacetoacetate is a useful synthetic intermediate. It is used to prepare pyrazolone derivatives as antiprion compounds. It is also used to prepare pyrrolinylaminopyrimidine analogs as inhibitors of AP-1 and NF-κB mediated gene expression.
References Kimata, A., et al.: J. Med. Chem., 50, 5053 (2007); Palanki, M., et al.: Bioorg. Med. Chme. Lett., 12, 2573 (2002)

Formula: C₁₂H₁₄O₃

Color and Shape: Neat

Molecular weight: 206.23776

Ref: TR-E925845

Ethyl 3-oxo-4-phenylbutanoate

CAS: 718-08-1

Formula: C₁₂H₁₄O₃

Purity: 90%

Color and Shape: Solid

Molecular weight: 206.241

Ref: 10-F093060

3-OXO-4-PHENYL-BUTYRIC ACID ETHYL ESTER

CAS: 718-08-1

Formula: C₁₂H₁₄O₃

Purity: 95%

Color and Shape: Liquid

Molecular weight: 206.2378

Ref: IN-DA00FC4H