CAS 956440-93-0

4-Methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]benzaldehyde

Description:

4-Methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]benzaldehyde is an organic compound characterized by its complex structure, which includes a methoxy group, a benzaldehyde moiety, and a nitro-substituted pyrazole. This compound typically exhibits a pale yellow to light brown appearance and is soluble in organic solvents such as ethanol and dimethyl sulfoxide (DMSO). Its molecular structure suggests potential reactivity due to the presence of both the aldehyde functional group and the nitro group, which can participate in various chemical reactions, including nucleophilic additions and reductions. The compound may also exhibit biological activity, making it of interest in medicinal chemistry and drug development. Its properties, such as melting point, boiling point, and spectral characteristics (NMR, IR, MS), would be essential for further characterization and application in research. Safety data should be consulted to handle this compound appropriately, as it may pose health risks typical of nitro compounds and aldehydes.

Formula: C₁₂H₁₁N₃O₄

InChI: InChI=1S/C12H11N3O4/c1-19-11-3-2-9(8-16)6-10(11)7-14-5-4-12(13-14)15(17)18/h2-6,8H,7H2,1H3

InChI key: InChIKey=KNEGYIQWZRNSIN-UHFFFAOYSA-N

SMILES: C(C1=C(OC)C=CC(C=O)=C1)N2N=C(N(=O)=O)C=C2

Synonyms:

• 4-Methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]benzaldehyde
• Benzaldehyde, 4-methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]-