Cas no 3785-04-4 (Pyridinium,2-carboxy-1-methyl-, iodide (1:1))

Pyridinium, 2-carboxy-1-methyl-, iodide (1:1) is a quaternary ammonium salt with a carboxylate functional group, offering unique reactivity and solubility properties. Its structure combines a positively charged pyridinium ring with a carboxylate anion, making it useful in organic synthesis, catalysis, and as an intermediate in pharmaceutical applications. The iodide counterion enhances its solubility in polar solvents, facilitating reactions in aqueous or mixed-phase systems. This compound is particularly valued for its stability and ability to participate in nucleophilic substitution or decarboxylation reactions. Its dual functionality allows for versatile modifications, making it a practical choice for researchers in medicinal chemistry and material science.
Pyridinium,2-carboxy-1-methyl-, iodide (1:1) structure
3785-04-4 structure
Product Name:Pyridinium,2-carboxy-1-methyl-, iodide (1:1)
CAS No:3785-04-4
MF:C7H8INO2
MW:265.048394203186
MDL:MFCD27967240
CID:318544
PubChem ID:12212114
Update Time:2025-06-07

Pyridinium,2-carboxy-1-methyl-, iodide (1:1) Chemical and Physical Properties

Names and Identifiers

    • Pyridinium,2-carboxy-1-methyl-, iodide (1:1)
    • 2-Carboxy-1-methylpyridiniumiodide (6CI,7CI); Pyridinium, 2-carboxy-1-methyl-, iodide (9CI); PCOM; a-Picolinic acid methiodide
    • starbld0012805
    • GS-2536
    • 1-methylpyridin-1-ium-2-carboxylate iodide
    • 2-Carboxy-N-methylpyridinium Iodide
    • 2-Carboxy-1-methylpyridin-1-ium iodide
    • AKOS025399362
    • DTXSID20480683
    • 3785-04-4
    • NSC191918
    • NSC-191918
    • 1-methylpyridin-1-ium-2-carboxylic acid;iodide
    • MDL: MFCD27967240
    • Inchi: 1S/C7H7NO2.HI/c1-8-5-3-2-4-6(8)7(9)10;/h2-5H,1H3;1H
    • InChI Key: UAXZNMIIUKWRCX-UHFFFAOYSA-N
    • SMILES: [I-].OC(C1C=CC=C[N+]=1C)=O

Computed Properties

  • Exact Mass: 264.95954
  • Monoisotopic Mass: 264.95998g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 136
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 41.2?2

Experimental Properties

  • PSA: 41.18

Pyridinium,2-carboxy-1-methyl-, iodide (1:1) Pricemore >>

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Additional information on Pyridinium,2-carboxy-1-methyl-, iodide (1:1)

Pyridinium, 2-carboxy-1-methyl-, iodide (1:1) (CAS No. 3785-04-4): Properties, Applications, and Market Insights

Pyridinium, 2-carboxy-1-methyl-, iodide (1:1) (CAS No. 3785-04-4) is a quaternary ammonium salt with a unique molecular structure, combining a pyridinium ring with a carboxyl group and a methyl substituent. This compound is widely studied in organic chemistry due to its versatile reactivity and potential applications in pharmaceuticals, agrochemicals, and material science. The presence of the iodide counterion enhances its solubility in polar solvents, making it a valuable intermediate in synthetic chemistry.

The chemical formula of Pyridinium, 2-carboxy-1-methyl-, iodide (1:1) is C7H8INO2, and its molecular weight is 265.05 g/mol. The compound typically appears as a white to off-white crystalline powder, stable under standard conditions. Researchers often investigate its thermal stability and solubility profile to optimize its use in various reactions. Recent studies have explored its role in catalysis and ionic liquid formulations, aligning with the growing interest in sustainable chemistry.

One of the most significant applications of Pyridinium, 2-carboxy-1-methyl-, iodide (1:1) is in the synthesis of pharmaceutical intermediates. Its structural features allow for efficient modifications, enabling the development of novel drug candidates. For instance, it has been used in the preparation of anti-inflammatory agents and antimicrobial compounds. The compound's ability to act as a phase-transfer catalyst also makes it valuable in green chemistry initiatives, reducing the need for hazardous solvents.

In material science, Pyridinium, 2-carboxy-1-methyl-, iodide (1:1) has been investigated for its potential in ionic liquid electrolytes for batteries and supercapacitors. The compound's ionic nature and thermal stability contribute to improved performance in energy storage devices. This aligns with the global push toward renewable energy solutions, a topic frequently searched by researchers and industry professionals.

The market for Pyridinium, 2-carboxy-1-methyl-, iodide (1:1) is influenced by trends in specialty chemicals and custom synthesis. With increasing demand for high-purity intermediates, suppliers are focusing on scalable production methods. Analytical techniques such as HPLC and NMR spectroscopy ensure quality control, addressing concerns about batch-to-batch consistency—a common query among buyers.

Environmental and regulatory considerations are also critical for Pyridinium, 2-carboxy-1-methyl-, iodide (1:1). While the compound is not classified as hazardous under current guidelines, proper handling and disposal practices are recommended. Researchers often search for biodegradability data and eco-friendly alternatives, reflecting the broader shift toward sustainable chemical practices.

In summary, Pyridinium, 2-carboxy-1-methyl-, iodide (1:1) (CAS No. 3785-04-4) is a multifaceted compound with applications spanning pharmaceuticals, materials science, and green chemistry. Its unique properties and adaptability make it a subject of ongoing research, particularly in areas like energy storage and drug development. As the chemical industry evolves, this compound is poised to play a pivotal role in addressing modern scientific and industrial challenges.

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