Cas no 31706-22-6 (6'-Fluoro-3'-methyl-2'-nitroacetophenone)

6'-Fluoro-3'-methyl-2'-nitroacetophenone is a fluorinated nitroacetophenone derivative with a methyl substituent at the 3' position. Its distinct molecular structure, featuring both electron-withdrawing (fluoro and nitro) and electron-donating (methyl) groups, makes it a valuable intermediate in organic synthesis, particularly for constructing complex heterocycles and pharmaceuticals. The fluorine atom enhances metabolic stability and binding affinity in bioactive molecules, while the nitro group offers reactivity for further functionalization. This compound is commonly utilized in medicinal chemistry research and agrochemical development due to its versatility in nucleophilic substitution and reduction reactions. Its well-defined reactivity profile ensures consistent performance in multi-step synthetic routes.
6'-Fluoro-3'-methyl-2'-nitroacetophenone structure
31706-22-6 structure
Product Name:6'-Fluoro-3'-methyl-2'-nitroacetophenone
CAS No:31706-22-6
MF:C9H8FNO3
MW:197.163125991821
CID:3139996
PubChem ID:4370152
Update Time:2025-05-27

6'-Fluoro-3'-methyl-2'-nitroacetophenone Chemical and Physical Properties

Names and Identifiers

    • 6'-Fluoro-3'-methyl-2'-nitroacetophenone
    • Ethanone, 1-(6-fluoro-3-methyl-2-nitrophenyl)-
    • 31706-22-6
    • Inchi: 1S/C9H8FNO3/c1-5-3-4-7(10)8(6(2)12)9(5)11(13)14/h3-4H,1-2H3
    • InChI Key: SRHGJEMSWWALBN-UHFFFAOYSA-N
    • SMILES: C(=O)(C1=C(F)C=CC(C)=C1[N+]([O-])=O)C

Computed Properties

  • Exact Mass: 197.04882128Da
  • Monoisotopic Mass: 197.04882128Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 251
  • 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
  • XLogP3: 1.9
  • Topological Polar Surface Area: 62.9?2

6'-Fluoro-3'-methyl-2'-nitroacetophenone Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A010015327-250mg
6'-Fluoro-3'-methyl-2'-nitroacetophenone
31706-22-6 97%
250mg
$484.80 2023-09-02
Alichem
A010015327-500mg
6'-Fluoro-3'-methyl-2'-nitroacetophenone
31706-22-6 97%
500mg
$863.90 2023-09-02
Alichem
A010015327-1g
6'-Fluoro-3'-methyl-2'-nitroacetophenone
31706-22-6 97%
1g
$1579.40 2023-09-02

Additional information on 6'-Fluoro-3'-methyl-2'-nitroacetophenone

Comprehensive Guide to 6'-Fluoro-3'-methyl-2'-nitroacetophenone (CAS No. 31706-22-6): Properties, Applications, and Market Insights

6'-Fluoro-3'-methyl-2'-nitroacetophenone (CAS No. 31706-22-6) is a specialized fluorinated aromatic ketone with significant applications in pharmaceutical intermediates and organic synthesis. This compound, characterized by its nitro and fluoro functional groups, has garnered attention in research and industrial applications due to its unique reactivity and structural versatility. Below, we explore its chemical properties, synthesis pathways, applications, and emerging trends in the field.

The molecular structure of 6'-Fluoro-3'-methyl-2'-nitroacetophenone features a methyl group at the 3' position and a nitro group at the 2' position, contributing to its electron-withdrawing properties. The presence of a fluoro substituent enhances its stability and reactivity, making it valuable in cross-coupling reactions and heterocyclic synthesis. Researchers often utilize this compound as a precursor in the development of bioactive molecules and agrochemicals.

One of the most prominent applications of 6'-Fluoro-3'-methyl-2'-nitroacetophenone is in the pharmaceutical industry, where it serves as a key intermediate in the synthesis of drug candidates targeting neurological and inflammatory disorders. Its role in medicinal chemistry is underscored by its ability to undergo selective functionalization, enabling the creation of novel therapeutic agents. Recent studies highlight its potential in cancer research, particularly in the design of kinase inhibitors.

In addition to pharmaceuticals, 6'-Fluoro-3'-methyl-2'-nitroacetophenone finds use in material science and organic electronics. Its electron-deficient aromatic core makes it suitable for applications in organic semiconductors and photovoltaic materials. Researchers are exploring its incorporation into light-emitting diodes (LEDs) and sensors, leveraging its optoelectronic properties.

The synthesis of 6'-Fluoro-3'-methyl-2'-nitroacetophenone typically involves Friedel-Crafts acylation followed by nitration and fluorination steps. Advances in green chemistry have led to more sustainable production methods, including catalytic processes and solvent-free reactions, reducing environmental impact. These innovations align with the growing demand for eco-friendly synthesis in the chemical industry.

Market trends indicate a rising demand for 6'-Fluoro-3'-methyl-2'-nitroacetophenone, driven by its expanding applications in drug discovery and advanced materials. The compound's versatility has positioned it as a valuable asset in high-throughput screening and combinatorial chemistry. Suppliers and manufacturers are increasingly focusing on purity optimization and scalable production to meet industry needs.

For researchers and industry professionals, understanding the structure-activity relationship (SAR) of 6'-Fluoro-3'-methyl-2'-nitroacetophenone is crucial for optimizing its applications. Computational modeling and QSAR studies are being employed to predict its reactivity and interactions, facilitating faster development cycles in drug design and material engineering.

In conclusion, 6'-Fluoro-3'-methyl-2'-nitroacetophenone (CAS No. 31706-22-6) is a multifaceted compound with broad utility in pharmaceuticals, materials science, and organic synthesis. Its unique chemical properties and adaptability make it a subject of ongoing research and innovation. As industries continue to prioritize sustainable chemistry and precision synthesis, this compound is poised to play a pivotal role in future scientific advancements.

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