CAS 620-80-4

Ethyl 3-oxo-2-(phenylmethylene)butanoate

Description:

Ethyl 3-oxo-2-(phenylmethylene)butanoate, with the CAS number 620-80-4, is an organic compound that belongs to the class of esters. It is characterized by the presence of a carbonyl group (C=O) adjacent to an ester functional group, which contributes to its reactivity and potential applications in organic synthesis. The compound features a phenylmethylene group, indicating the presence of a phenyl ring attached to a methylene bridge, which can influence its chemical behavior and interactions. Ethyl 3-oxo-2-(phenylmethylene)butanoate is typically a colorless to pale yellow liquid with a pleasant odor, making it suitable for use in fragrances and flavoring agents. It is soluble in organic solvents but has limited solubility in water. The compound can undergo various chemical reactions, including condensation and nucleophilic addition, making it valuable in the synthesis of more complex organic molecules. Its unique structure and properties make it of interest in fields such as medicinal chemistry and materials science.

Formula: C₁₃H₁₄O₃

InChI: InChI=1S/C13H14O3/c1-3-16-13(15)12(10(2)14)9-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3

InChI key: InChIKey=AYZGINZXVVKWKV-UHFFFAOYSA-N

SMILES: C(=C(C(OCC)=O)C(C)=O)C1=CC=CC=C1

Synonyms:

• 3-Oxo-2-(phenylmethylene)butanoic acid ethyl ester
• Butanoic Acid, 3-Oxo-2-(Phenylmethylene)-, Ethyl Ester
• Cinnamic acid, α-acetyl-, ethyl ester
• Ethyl 2-(acetyl)-3-phenyl-2-propenoate
• Ethyl 2-benzylideneacetoacetate
• Ethyl 3-oxo-2-(phenylmethylene)butanoate
• Ethyl benzylideneacetoacetate
• Ethyl α-acetylcinnamate
• NSC 68527
• ethyl (2Z)-3-oxo-2-(phenylmethylidene)butanoate

Ethyl 2-benzylidene-3-oxobutanoate

CAS: 620-80-4

Formula: C₁₃H₁₄O₃

Purity: 95%

Molecular weight: 218.252

Ref: 10-F227699

2-Acetyl-3-phenylacrylic acid ethyl ester

CAS: 620-80-4

Formula: C₁₃H₁₄O₃

Purity: 95%

Color and Shape: Solid

Molecular weight: 218.2485

Ref: IN-DA00EK40

Ethyl 2-Benzylidene-3-Oxobutanoate

CAS: 620-80-4

Ethyl 2-Benzylidene-3-Oxobutanoate

Purity: 98%

Molecular weight: 218.25g/mol

Ref: 54-OR1013147

Ethyl 2-Benzylidene-3-oxobutanoate (mixture of isomers)

CAS: 620-80-4

Formula: C₁₃H₁₄O₃

Purity: >95.0%(GC)

Color and Shape: White to Light yellow powder to crystal

Molecular weight: 218.25

Ref: 3B-E1469

2-Acetyl-3-phenylacrylic acid ethyl ester

CAS: 620-80-4

2-Acetyl-3-phenylacrylic acid ethyl ester (APACHE) is a novel synthetic compound that has been shown to have potent antioxidant, antiangiogenic and radical scavenging activities in vivo. APACHE has been shown to inhibit tumor growth and angiogenesis in vitro. It also has potent antagonist activity against the platelet aggregation of human platelets and has been shown to have a cardio-protective effect in vivo. APACHE inhibits cell growth by reacting with acceptors like cysteine and glutathione, which are important for cell survival. Reaction time was found to be an important factor for the potency of APACHE as it can react with other molecules present in cells during the reaction time.
APACHE is synthesized from 2-acetylphenol via the chemical reaction of phenyllithium followed by acetylation with acetic anhydride, which is a postsynthetic modification. APACHE

Formula: C₁₃H₁₄O₃

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 218.25 g/mol

Ref: 3D-FA74680