Cas no 54435-09-5 (2-iodo-4-methoxy-benzoic acid)

2-Iodo-4-methoxy-benzoic acid is a halogenated aromatic carboxylic acid with a molecular formula of C?H?IO?. This compound features a methoxy group at the 4-position and an iodine substituent at the 2-position of the benzoic acid scaffold, making it a versatile intermediate in organic synthesis. Its iodine moiety enables further functionalization via cross-coupling reactions, such as Suzuki or Heck reactions, while the methoxy group enhances solubility and electronic properties. The carboxylic acid functionality allows for derivatization into esters, amides, or other derivatives. This compound is particularly useful in pharmaceutical and agrochemical research, where its structural motifs are valuable for designing bioactive molecules. High purity and stability ensure reliable performance in synthetic applications.
2-iodo-4-methoxy-benzoic acid structure
2-iodo-4-methoxy-benzoic acid structure
Product Name:2-iodo-4-methoxy-benzoic acid
CAS No:54435-09-5
MF:C8H7IO3
MW:278.043854951859
MDL:MFCD09909619
CID:354610
PubChem ID:12822182
Update Time:2025-06-14

2-iodo-4-methoxy-benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Iodo-4-methoxybenzoic acid
    • Benzoic acid, 2-iodo-4-methoxy-
    • 2-Iod-4-methoxybenzoesaeure
    • 2-Iod-4-methoxy-benzoesaeure
    • 2-iodo-4 -methoxy-benzoic acid
    • 2-Jod-4-methoxy-benzoesaeure
    • 2-Jod-anissaeure
    • AK100206
    • ANW-70447
    • CTK1F8890
    • RP29780
    • SureCN3404282
    • 2-iodo-4-methoxy-benzoic acid
    • 2-iodo- 4-methoxy-benzoic acid
    • QBPHOFYPURZIKS-UHFFFAOYSA-N
    • AB0059352
    • Z4862
    • ST24022273
    • 54435-09-5
    • CS-W005751
    • AKOS016002683
    • 2-Iodo-4-methoxybenzoicacid
    • AMY31771
    • SCHEMBL3404282
    • DTXSID70510702
    • AC-28626
    • AS-30761
    • MFCD09909619
    • SY110284
    • Z1269201449
    • FT-0723561
    • EN300-107766
    • DA-05034
    • MDL： MFCD09909619
    • Inchi： 1S/C8H7IO3/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)
    • InChI Key： QBPHOFYPURZIKS-UHFFFAOYSA-N
    • SMILES： IC1C=C(C=CC=1C(=O)O)OC

Computed Properties

  • Exact Mass: 277.94351
  • Monoisotopic Mass: 277.94399g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 172
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 46.5
  • XLogP3: 2.1

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.9±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 348.9±27.0 °C at 760 mmHg
  • Flash Point: 164.8±23.7 °C
  • PSA: 46.53
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

2-iodo-4-methoxy-benzoic acid Security Information

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2-iodo-4-methoxy-benzoic acid Related Literature

Additional information on 2-iodo-4-methoxy-benzoic acid

Recent Advances in the Application of 2-Iodo-4-methoxy-benzoic Acid (CAS: 54435-09-5) in Chemical Biology and Pharmaceutical Research

2-Iodo-4-methoxy-benzoic acid (CAS: 54435-09-5) is a halogenated aromatic compound that has garnered significant attention in recent years due to its versatile applications in chemical biology and pharmaceutical research. This compound, characterized by its iodine substituent and methoxy group, serves as a crucial building block in the synthesis of various bioactive molecules. Recent studies have explored its potential in drug discovery, medicinal chemistry, and as a probe in biological systems. This research brief aims to summarize the latest findings and advancements related to this compound, providing insights into its current and future applications.

One of the primary areas of interest for 2-iodo-4-methoxy-benzoic acid is its role as an intermediate in the synthesis of complex pharmaceutical agents. A 2023 study published in the *Journal of Medicinal Chemistry* demonstrated its utility in the development of novel anti-inflammatory agents. Researchers utilized the iodine moiety for selective cross-coupling reactions, enabling the efficient construction of diverse molecular scaffolds. The study highlighted the compound's stability and reactivity under various conditions, making it a valuable tool for medicinal chemists.

In addition to its synthetic applications, 2-iodo-4-methoxy-benzoic acid has been investigated for its potential as a molecular probe. A recent publication in *Chemical Biology & Drug Design* reported its use in labeling proteins and studying protein-ligand interactions. The iodine atom's unique properties allowed for precise tracking and imaging, facilitating a deeper understanding of biological processes. This approach has opened new avenues for targeted drug delivery and diagnostic applications.

Another notable advancement involves the compound's role in the development of antimicrobial agents. A 2024 study in *Bioorganic & Medicinal Chemistry Letters* explored derivatives of 2-iodo-4-methoxy-benzoic acid for their activity against resistant bacterial strains. The results indicated promising antibacterial properties, particularly against Gram-positive pathogens. The study emphasized the importance of structural modifications to enhance efficacy and reduce toxicity, paving the way for future drug candidates.

Despite these promising developments, challenges remain in the optimization of 2-iodo-4-methoxy-benzoic acid-based compounds. Issues such as solubility, bioavailability, and off-target effects require further investigation. Ongoing research aims to address these limitations through innovative synthetic strategies and formulation techniques. Collaborative efforts between academia and industry are expected to accelerate progress in this field.

In conclusion, 2-iodo-4-methoxy-benzoic acid (CAS: 54435-09-5) continues to be a focal point in chemical biology and pharmaceutical research. Its multifaceted applications, from drug synthesis to biological probing, underscore its significance in advancing scientific knowledge and therapeutic innovation. Future studies will likely uncover additional uses and refine existing methodologies, solidifying its role as a cornerstone in modern research.

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