CAS 1461705-59-8

2-Ethyl-2-[(4-nitrophenyl)methyl]propanedioic acid

Description:

2-Ethyl-2-[(4-nitrophenyl)methyl]propanedioic acid, identified by its CAS number 1461705-59-8, is an organic compound characterized by its unique structure, which includes a propanedioic acid backbone substituted with an ethyl group and a 4-nitrophenylmethyl moiety. This compound typically exhibits properties associated with both carboxylic acids and aromatic compounds, including potential acidity due to the carboxyl groups and the ability to engage in hydrogen bonding. The presence of the nitro group on the aromatic ring may impart additional polar characteristics, influencing its solubility in various solvents. The compound's molecular structure suggests it may participate in various chemical reactions, such as esterification or nucleophilic substitution, making it of interest in synthetic organic chemistry. Additionally, the nitro group can affect the compound's electronic properties, potentially impacting its reactivity and interactions with biological systems. Overall, 2-Ethyl-2-[(4-nitrophenyl)methyl]propanedioic acid is a versatile compound with applications in research and development within the fields of pharmaceuticals and materials science.

Formula: C₁₂H₁₃NO₆

InChI: InChI=1S/C12H13NO6/c1-2-12(10(14)15,11(16)17)7-8-3-5-9(6-4-8)13(18)19/h3-6H,2,7H2,1H3,(H,14,15)(H,16,17)

InChI key: InChIKey=UCCITSTWEGGIML-UHFFFAOYSA-N

SMILES: C(CC1=CC=C(N(=O)=O)C=C1)(C(O)=O)(C(O)=O)CC

Synonyms:

• 2-Ethyl-2-[(4-nitrophenyl)methyl]propanedioic acid
• Propanedioic acid, 2-ethyl-2-[(4-nitrophenyl)methyl]-

2-Ethyl-2-[(4-nitrophenyl)methyl]propanedioic acid

CAS: 1461705-59-8

Versatile small molecule scaffold

Formula: C₁₂H₁₃NO₆

Purity: Min. 95%

Molecular weight: 267.23 g/mol

Ref: 3D-LIC70559