Cas no 957503-67-2 (1-(4-fluorophenyl)methyl-4-iodo-1H-pyrazole)

1-(4-Fluorophenyl)methyl-4-iodo-1H-pyrazole is a fluorinated and iodinated pyrazole derivative, serving as a versatile intermediate in organic synthesis and pharmaceutical research. The presence of both fluorine and iodine substituents enhances its reactivity, making it valuable for cross-coupling reactions, such as Suzuki or Sonogashira couplings, to construct complex heterocyclic frameworks. The 4-fluorobenzyl group contributes to improved metabolic stability and lipophilicity, which is advantageous in drug design. This compound is particularly useful in the development of bioactive molecules, including potential kinase inhibitors or agrochemicals. Its well-defined structure and high purity ensure reproducibility in synthetic applications. Proper handling under inert conditions is recommended due to the sensitivity of the C-I bond.
1-(4-fluorophenyl)methyl-4-iodo-1H-pyrazole structure
957503-67-2 structure
Product Name:1-(4-fluorophenyl)methyl-4-iodo-1H-pyrazole
CAS No:957503-67-2
MF:C10H8FIN2
MW:302.086797714233
CID:5733899
PubChem ID:2989149
Update Time:2025-06-10

1-(4-fluorophenyl)methyl-4-iodo-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • 1-[(4-fluorophenyl)methyl]-4-iodopyrazole
    • 1-(4-fluorobenzyl)-4-iodo-1H-pyrazole
    • CS-0363552
    • AG-664/43371760
    • AKOS013754740
    • 1-[(4-fluorophenyl)methyl]-4-iodo-1H-pyrazole
    • F2147-7206
    • 957503-67-2
    • 1-(4-fluorophenyl)methyl-4-iodo-1H-pyrazole
    • Inchi: 1S/C10H8FIN2/c11-9-3-1-8(2-4-9)6-14-7-10(12)5-13-14/h1-5,7H,6H2
    • InChI Key: QVCHLEHVSKEGCX-UHFFFAOYSA-N
    • SMILES: IC1C=NN(C=1)CC1C=CC(=CC=1)F

Computed Properties

  • Exact Mass: 301.97162g/mol
  • Monoisotopic Mass: 301.97162g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 183
  • 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: 2.6
  • Topological Polar Surface Area: 17.8?2

1-(4-fluorophenyl)methyl-4-iodo-1H-pyrazole Pricemore >>

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Additional information on 1-(4-fluorophenyl)methyl-4-iodo-1H-pyrazole

Comprehensive Overview of 1-(4-fluorophenyl)methyl-4-iodo-1H-pyrazole (CAS No. 957503-67-2): Properties, Applications, and Research Insights

1-(4-fluorophenyl)methyl-4-iodo-1H-pyrazole (CAS No. 957503-67-2) is a specialized heterocyclic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural features. The compound belongs to the pyrazole family, a class of nitrogen-containing heterocycles known for their diverse biological activities. With the increasing demand for fluorinated compounds and iodinated intermediates in drug discovery, this molecule serves as a critical building block for synthesizing novel therapeutics and functional materials.

The molecular structure of 1-(4-fluorophenyl)methyl-4-iodo-1H-pyrazole combines a fluorophenyl group with an iodo-substituted pyrazole core, offering distinct electronic properties that enhance its reactivity in cross-coupling reactions. Researchers have explored its potential in Suzuki-Miyaura and Sonogashira couplings, which are pivotal for creating complex molecules in medicinal chemistry. Recent studies highlight its utility in developing kinase inhibitors and antimicrobial agents, aligning with the growing focus on targeted drug delivery and antibiotic resistance solutions.

In the context of green chemistry, the synthesis and handling of iodo-pyrazole derivatives like CAS No. 957503-67-2 have been optimized to minimize environmental impact. Innovations such as catalyst-free reactions and solvent-free conditions are now being applied to improve the sustainability of its production. This aligns with the broader industry shift toward eco-friendly synthesis methods, a topic frequently searched by professionals in organic chemistry forums.

From a commercial perspective, the compound’s role as a high-value intermediate is underscored by its inclusion in proprietary libraries for high-throughput screening. Its fluorine-iodine synergy enables precise modulation of lipophilicity and bioavailability, making it a favorite among researchers working on CNS-targeted drugs and PET imaging probes. These applications resonate with current trends in personalized medicine and diagnostic imaging, areas dominating academic and industrial discussions.

Analytical characterization of 1-(4-fluorophenyl)methyl-4-iodo-1H-pyrazole typically involves advanced techniques such as NMR spectroscopy, HPLC-MS, and X-ray crystallography. Data from these methods confirm its stability under standard storage conditions, a key consideration for logistics and supply chain management. The compound’s compatibility with automated synthesis platforms further enhances its appeal in combinatorial chemistry, addressing the demand for scalable solutions in drug development pipelines.

Future research directions for CAS No. 957503-67-2 may explore its potential in metal-organic frameworks (MOFs) or as a ligand in transition-metal catalysis. Such applications could unlock innovations in material science and renewable energy, topics increasingly searched alongside heterocyclic chemistry. As regulatory agencies emphasize safer chemical alternatives, the compound’s well-documented safety profile positions it as a sustainable choice for industrial adoption.

In summary, 1-(4-fluorophenyl)methyl-4-iodo-1H-pyrazole exemplifies the intersection of structural versatility and practical utility in modern chemistry. Its relevance to life sciences, materials engineering, and environmental sustainability ensures continued interest from both academia and industry, making it a staple in the toolkit of 21st-century chemists.

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