29587-80-2

Basic information

• Product Name: (E)-4-(4-ethylphenyl)-4-oxo-2-butenoic acid
• Synonyms: (E)-4-(4-ethylphenyl)-4-oxo-2-butenoic acid
• CAS NO: 29587-80-2
• Molecular Weight: 204.225
• Mol File: 29587-80-2.mol
• Article Data: 6

Chemical Properties

• CAS DataBase Reference: (E)-4-(4-ethylphenyl)-4-oxo-2-butenoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: (E)-4-(4-ethylphenyl)-4-oxo-2-butenoic acid(29587-80-2)
• EPA Substance Registry System: (E)-4-(4-ethylphenyl)-4-oxo-2-butenoic acid(29587-80-2)

Safety Data

• Hazardous Substances Data: 29587-80-2(Hazardous Substances Data)

Upstream product

• 108-31-6 maleic anhydride 
• 75-15-0 carbon disulfide 
• 7446-70-0 aluminium trichloride 
• 100-41-4 ethylbenzene 
• 937-30-4 4-ethylacetophenone 
• 298-12-4 Glyoxilic acid 
• 39644-63-8 1-(4-Ethyl-phenyl)-2-(triphenyl-λ⁵-phosphanylidene)-ethanone 
• 39644-71-8 (Z)-4-(4-Ethyl-phenyl)-4-oxo-but-2-enoic acid ethyl ester 

Downstream Products

• 1362038-20-7 6-(4-ethylphenyl)-2-(4-(aminosulfonyl)phenyl)pyridazin-3(2H)-one 
• 39644-71-8 (Z)-4-(4-Ethyl-phenyl)-4-oxo-but-2-enoic acid ethyl ester 

Relevant articles and documents

Microwave-assisted synthesis of 4-oxo-2-butenoic acids by aldol-condensation of glyoxylic acid

4-Oxobutenoic acids are useful as biologically active species and as versatile intermediates for further derivatisation. Currently, routes to their synthesis can be problematic and lack generality. Reaction conditions for the synthesis of 4-oxo-2-butenoic

Synthesis of 1,5-benzodiazepine derivatives using p-toluenesulfonic acid as catalyst

A series of substituted ethyl 4-oxo-4-phenylbut-2-enoates were prepared and reacted with substituted o-phenylenediamine, undergone Michael addition reactions and cyclodehydration to provide novel 4-phenyl-2,3-dihydro-1,5-benzodiazepine-2-carboxylate derivatives with excellent yields. The synthetic protocol fulfilled many green-chemical requirements by using simple catalyst p-toluenesulfonic acid as activator and ethanol as solvent at room temperature.

Antiproliferative activity of aroylacrylic acids. Structure-activity study based on molecular interaction fields

Antiproliferative activity of 27 phenyl-substituted 4-aryl-4-oxo-2-butenoic acids (aroylacrylic acids) toward Human cervix carcinoma (HeLa), Human chronic myelogenous leukemia (K562) and Human colon tumor (LS174) cell lines in vitro are reported. Compounds are active toward all examined cell lines. The most active compounds bear two or three branched alkyl or cycloalkyl substituents on phenyl moiety having potencies in low micromolar ranges. One of most potent derivatives arrests the cell cycle at S phase in HeLa cells. The 3D QSAR study, using molecular interaction fields (MIF) and derived alignment independent descriptors (GRIND-2), rationalize the structural characteristics correlated with potency of compounds. Covalent chemistry, most possibly involved in the mode of action of reported compounds, was quantitatively accounted using frontier molecular orbitals. Pharmacophoric pattern of most potent compounds are used as a template for virtual screening, to find similar ones in database of compounds screened against DTP-NCI 60 tumor cell lines. Potency of obtained hits is well predicted.