Description

3,5-Dimethyl-4-nitro-1H-pyrrole-2-carbaldehyde (CAS No. 40236-20-2) is a high-purity nitro-substituted pyrrole derivative with the molecular formula C₇H₈N₂O₃. This heterocyclic aldehyde features a reactive formyl group (–CHO) at the 2-position and a nitro (–NO₂) functional group at the 4-position, flanked by methyl substituents at the 3- and 5-positions. Its unique structure makes it a valuable intermediate in organic synthesis, particularly for constructing complex nitrogen-containing scaffolds. Supplied as a crystalline solid with ≥95% purity (HPLC), it is rigorously tested for consistency in batch-to-batch performance. Store under inert conditions at 2–8°C to maintain stability. Ideal for pharmaceutical research, agrochemical development, and materials science applications requiring tailored pyrrole chemistry.

Properties

• CAS Number: 40236-20-2
• Complexity: 201
• IUPAC Name: 3,5-dimethyl-4-nitro-1H-pyrrole-2-carbaldehyde
• InChI: InChI=1S/C7H8N2O3/c1-4-6(3-10)8-5(2)7(4)9(11)12/h3,8H,1-2H3
• InChI Key: OOVLXRNEZYLZRL-UHFFFAOYSA-N
• Exact Mass: 168.05349212
• Molecular Formula: C7H8N2O3
• Molecular Weight: 168.15
• SMILES: CC1=C(NC(=C1[N+](=O)[O-])C)C=O
• Topological: 78.7
• Monoisotopic Mass: 168.05349212
• Synonyms: 3,5-Dimethyl-4-nitro-1H-pyrrole-2-carbaldehyde, 40236-20-2, 1H-Pyrrole-2-carboxaldehyde,3,5-dimethyl-4-nitro-(9CI), 3,5-Dimethyl-4-nitro-2-pyrrolecarboxaldehyde, MFCD18810188, SCHEMBL14854612, DTXSID10648578, AKOS016012182, DS-6752, SB62619, DB-339033, C75038, 3 pound not5-Dimethyl-4-nitro-1H-pyrrole-2-carbaldehyde

Application

This nitro-functionalized pyrrole aldehyde serves as a key building block in the synthesis of pharmacologically active compounds, including potential kinase inhibitors and antimicrobial agents. Its electron-withdrawing nitro group enhances reactivity in nucleophilic aromatic substitution (S_NAr) reactions, while the aldehyde moiety enables condensation reactions for heterocycle formation. Researchers utilize it to develop novel pigments and conductive polymers due to its conjugated π-system. In medicinal chemistry, it has been explored as a precursor for prodrugs targeting nitroreductase-expressing tissues.

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.