CAS 1233958-36-5

1,1-Dimethylethyl 4-(2-fluoro-6-nitrophenyl)-1-piperazinecarboxylate

Description:

1,1-Dimethylethyl 4-(2-fluoro-6-nitrophenyl)-1-piperazinecarboxylate is a chemical compound characterized by its complex structure, which includes a piperazine ring, a carboxylate group, and a substituted aromatic system. The presence of a fluoro and nitro group on the aromatic ring contributes to its unique electronic properties, potentially influencing its reactivity and interaction with biological targets. The tert-butyl group (1,1-dimethylethyl) enhances the lipophilicity of the molecule, which may affect its solubility and permeability in biological systems. This compound may exhibit pharmacological activity due to its structural features, making it of interest in medicinal chemistry. Its CAS number, 1233958-36-5, allows for precise identification and retrieval of information regarding its properties, synthesis, and applications in scientific literature. Overall, the combination of functional groups and structural elements suggests potential utility in drug development or as a research tool in various chemical and biological studies.

Formula: C₁₅H₂₀FN₃O₄

InChI: InChI=1S/C15H20FN3O4/c1-15(2,3)23-14(20)18-9-7-17(8-10-18)13-11(16)5-4-6-12(13)19(21)22/h4-6H,7-10H2,1-3H3

InChI key: InChIKey=GWHUVEIGDXIWOY-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=C(C(F)=CC=C1)N2CCN(C(OC(C)(C)C)=O)CC2

Synonyms:

• 1-Piperazinecarboxylic acid, 4-(2-fluoro-6-nitrophenyl)-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 4-(2-fluoro-6-nitrophenyl)-1-piperazinecarboxylate