Cas no 1260839-45-9 (2-Fluoro-6-iodo-3-methylbenzaldehyde)

2-Fluoro-6-iodo-3-methylbenzaldehyde is a halogenated benzaldehyde derivative with a molecular formula of C?H?FIO. This compound features a fluoro and iodo substituent at the 2- and 6-positions, respectively, along with a methyl group at the 3-position, offering unique reactivity for selective functionalization. Its structural properties make it a valuable intermediate in organic synthesis, particularly in cross-coupling reactions such as Suzuki or Sonogashira couplings, where the iodo group serves as an effective leaving group. The electron-withdrawing fluoro substituent enhances electrophilicity, facilitating nucleophilic aromatic substitution. This compound is suitable for applications in pharmaceuticals, agrochemicals, and materials science, where precise functional group manipulation is required.
2-Fluoro-6-iodo-3-methylbenzaldehyde structure
1260839-45-9 structure
Product Name:2-Fluoro-6-iodo-3-methylbenzaldehyde
CAS No:1260839-45-9
MF:C8H6FIO
MW:264.035518169403
CID:4936579
Update Time:2025-05-19

2-Fluoro-6-iodo-3-methylbenzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 2-FLUORO-6-IODO-3-METHYLBENZALDEHYDE
    • 2-Fluoro-6-iodo-3-methylbenzaldehyde
    • Inchi: 1S/C8H6FIO/c1-5-2-3-7(10)6(4-11)8(5)9/h2-4H,1H3
    • InChI Key: GTRBZEOGYRBHNY-UHFFFAOYSA-N
    • SMILES: IC1C=CC(C)=C(C=1C=O)F

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 151
  • XLogP3: 2.5
  • Topological Polar Surface Area: 17.1

2-Fluoro-6-iodo-3-methylbenzaldehyde Pricemore >>

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Additional information on 2-Fluoro-6-iodo-3-methylbenzaldehyde

2-Fluoro-6-Iodo-3-Methylbenzaldehyde: A Comprehensive Overview

2-Fluoro-6-Iodo-3-Methylbenzaldehyde, also known by its CAS number 1260839-45-9, is a fascinating organic compound that has garnered significant attention in the fields of synthetic chemistry and materials science. This compound is characterized by its unique structure, which includes a benzaldehyde backbone substituted with fluorine, iodine, and methyl groups at specific positions. The presence of these substituents imparts distinct chemical and physical properties, making it a valuable molecule for various applications.

The synthesis of 2-Fluoro-6-Iodo-3-Methylbenzaldehyde typically involves multi-step organic reactions, often employing advanced methodologies such as Suzuki coupling or nucleophilic aromatic substitution. Recent studies have highlighted the importance of precise control over reaction conditions to achieve high yields and purity. For instance, researchers have explored the use of microwave-assisted synthesis to optimize the formation of this compound, demonstrating the potential for scalable production methods.

One of the most notable features of 2-Fluoro-6-Iodo-3-Methylbenzaldehyde is its versatility in chemical transformations. The iodine substituent at the 6-position serves as an excellent leaving group, enabling various substitution reactions. This property has been exploited in the synthesis of biologically active compounds, where the iodine can be replaced with other functional groups to modulate pharmacological activity. Recent findings in medicinal chemistry have shown that derivatives of this compound exhibit promising anti-inflammatory and antioxidant properties.

In terms of structural characterization, modern analytical techniques such as nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry have been instrumental in confirming the identity and purity of 1260839-45-9. These methods provide detailed insights into the molecular structure, aiding in the development of novel synthetic pathways and quality control measures.

The application of 2-Fluoro-6-Iodo-3-Methylbenzaldehyde extends beyond traditional chemical synthesis. Its unique electronic properties make it a candidate for use in advanced materials, such as organic semiconductors and sensors. Emerging research has explored its potential in optoelectronic devices, where its ability to absorb specific wavelengths of light could be harnessed for energy-efficient applications.

In conclusion, 2-Fluoro-6-Iodo-3-Methylbenzaldehyde, with its CAS number 1260839-45-9, stands as a testament to the ingenuity and precision of modern organic chemistry. Its diverse applications and ongoing research highlight its significance in both academic and industrial settings. As new discoveries continue to emerge, this compound is poised to play an even greater role in shaping the future of chemical innovation.

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