96497-89-1

Basic information

• Product Name: 2-Propenoic acid, 2-hydroxy-3-(2-nitrophenyl)-, ethyl ester, (Z)-
• CAS NO: 96497-89-1
• Molecular Formula: C11H11NO5
• Molecular Weight: 237.212
• Mol File: 96497-89-1.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 2-Propenoic acid, 2-hydroxy-3-(2-nitrophenyl)-, ethyl ester, (Z)-(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Propenoic acid, 2-hydroxy-3-(2-nitrophenyl)-, ethyl ester, (Z)-(96497-89-1)
• EPA Substance Registry System: 2-Propenoic acid, 2-hydroxy-3-(2-nitrophenyl)-, ethyl ester, (Z)-(96497-89-1)

Safety Data

• Hazardous Substances Data: 96497-89-1(Hazardous Substances Data)

Upstream product

• 88-72-2 1-methyl-2-nitrobenzene 

Downstream Products

• 784-98-5 ethyl 2-nitrophenylpyruvate keto tautomer 
• 96513-54-1 ethyl 2-nitro-α-methoxycinnamate 

Relevant articles and documents

Stable Quinonoid Nitronates. A Structure Investigation of Ethyl 2-Nitrophenylpyruvate Anions based on Nuclear Magnetic Resonance Spectroscopy and MO-SCF-HAM/3 Calculations

Ethyl 2-nitrophenylpyruvate anions have o-quinonoid nitronate structures while their corresponding acids are aromatic α-enol and/or α-keto-esters.A semiempirical quantum chemical study of the different tautomers of these systems using HAM/3 has suggested a non-planar ring conformation of the nitronic acids and the nitronates.The presence of a hydrogen bond between 6-H and its neighbouring carbonyl oxygen in the title compound is inferred by an unusually low field proton resonance.