CAS 1334149-05-1

N-(4-Fluoro-2-nitrophenyl)-β-alanine methyl ester

Description:

N-(4-Fluoro-2-nitrophenyl)-β-alanine methyl ester is a chemical compound characterized by its specific functional groups and structural features. It contains a β-alanine backbone, which is an amino acid, modified by the presence of a methyl ester group that enhances its solubility and reactivity. The compound also features a 4-fluoro-2-nitrophenyl substituent, which introduces both a halogen and a nitro group, contributing to its electronic properties and potential reactivity. The presence of the fluorine atom can influence the compound's lipophilicity and biological activity, while the nitro group may participate in various chemical reactions, including reduction processes. This compound may be of interest in medicinal chemistry and materials science due to its unique structural characteristics, which could lead to specific interactions in biological systems or applications in organic synthesis. As with many nitro-containing compounds, it is essential to handle it with care due to potential toxicity and environmental concerns.

Formula: C₁₀H₁₁FN₂O₄

InChI: InChI=1S/C10H11FN2O4/c1-17-10(14)4-5-12-8-3-2-7(11)6-9(8)13(15)16/h2-3,6,12H,4-5H2,1H3

InChI key: InChIKey=RVXQACRSNICSIB-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=C(NCCC(OC)=O)C=CC(F)=C1

Synonyms:

• N-(4-Fluoro-2-nitrophenyl)-β-alanine methyl ester
• β-Alanine, N-(4-fluoro-2-nitrophenyl)-, methyl ester

Methyl 3-[(4-fluoro-2-nitrophenyl)amino]propanoate

CAS: 1334149-05-1

Versatile small molecule scaffold

Formula: C₁₀H₁₁FN₂O₄

Purity: Min. 95%

Molecular weight: 242.2 g/mol

Ref: 3D-JDC14905