Description

4-Formyl-1-methylpyridin-1-ium iodide (CAS No. 13441-53-7) is a high-purity quaternary pyridinium salt with the molecular formula C₇H₈INO. This compound features a formyl group at the 4-position of the N-methylpyridinium core, making it a versatile intermediate in organic synthesis and pharmaceutical research. Its crystalline structure and iodide counterion ensure excellent solubility in polar solvents, facilitating reactions in aqueous or mixed-phase systems. Ideal for use in nucleophilic substitution, cross-coupling, and redox reactions, this reagent is rigorously tested for consistency (HPLC, NMR) and packaged under inert conditions to guarantee stability. Available in quantities from milligrams to kilograms, it is suited for lab-scale R&D and industrial applications.

Properties

• CAS Number: 13441-53-7
• Complexity: 95.1
• IUPAC Name: 1-methylpyridin-1-ium-4-carbaldehyde;iodide
• InChI: InChI=1S/C7H8NO.HI/c1-8-4-2-7(6-9)3-5-8;/h2-6H,1H3;1H/q+1;/p-1
• InChI Key: ZXBSOTYVIHPBDT-UHFFFAOYSA-M
• Exact Mass: 248.96506
• Molecular Formula: C7H8INO
• Molecular Weight: 249.05
• SMILES: C[N+]1=CC=C(C=C1)C=O.[I-]
• Topological: 21
• Monoisotopic Mass: 248.96506
• Synonyms: 4-Formyl-1-methylpyridin-1-ium iodide, 13441-53-7, DTXSID50455884, DTXCID80406703, 1-methylpyridin-1-ium-4-carbaldehyde;iodide, 4-formyl-1-methyl-pyridinium iodide, MFCD00955994, Pyridinium, 4-formyl-1-methyl-, iodide, SCHEMBL7049251, NAA44153, NSC204945, 1-Methylpyridinium iodide, 4-formyl-, 4-Formyl-1-methylpyridin-1-iumiodide, NSC-204945, AS-76790, 4-FORMYL-1-METHYLPYRIDINIUM IODIDE, CS-0159879, D95156, EN300-1386990

Application

4-Formyl-1-methylpyridin-1-ium iodide serves as a key precursor in the synthesis of N-methylpyridinium-based ionic liquids and photosensitizers. It is employed in the preparation of bioactive molecules, particularly in medicinal chemistry for anticholinesterase agents. Researchers also utilize it as an electrophile in Pd-catalyzed cross-coupling reactions to construct heterocyclic frameworks.

Safety and Hazards

GHS Hazard Statements

• Not Classified
• Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

Hazard Classes and Categories

• Not Classified

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