Cas no 942475-00-5 (2'-Fluoro-[1,1'-biphenyl]-3-sulfonyl chloride)

2'-Fluoro-[1,1'-biphenyl]-3-sulfonyl chloride is a specialized sulfonyl chloride derivative featuring a biphenyl core with a fluorine substituent at the 2' position. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of sulfonamides, sulfonate esters, and other functionalized aromatic systems. The fluorine substitution enhances its reactivity and selectivity in cross-coupling reactions, while the sulfonyl chloride group provides a handle for further derivatization. Its rigid biphenyl structure contributes to stability, making it suitable for applications in pharmaceuticals, agrochemicals, and materials science. The compound is typically handled under anhydrous conditions due to the moisture-sensitive nature of the sulfonyl chloride moiety.
2'-Fluoro-[1,1'-biphenyl]-3-sulfonyl chloride structure
942475-00-5 structure
Product Name:2'-Fluoro-[1,1'-biphenyl]-3-sulfonyl chloride
CAS No:942475-00-5
MF:C12H8ClFO2S
MW:270.707124710083
CID:3157464
PubChem ID:44891093
Update Time:2025-06-11

2'-Fluoro-[1,1'-biphenyl]-3-sulfonyl chloride Chemical and Physical Properties

Names and Identifiers

    • 2'-Fluoro-[1,1'-biphenyl]-3-sulfonyl chloride
    • 3-(2-fluorophenyl)benzenesulfonyl chloride
    • 2'-Fluoro-[1,1'-biphenyl]-3-sulfonylchloride
    • SCHEMBL14120596
    • 942475-00-5
    • 2'-Fluoro-biphenyl-3-sulfonyl chloride
    • MDL: MFCD06739483
    • Inchi: 1S/C12H8ClFO2S/c13-17(15,16)10-5-3-4-9(8-10)11-6-1-2-7-12(11)14/h1-8H
    • InChI Key: NJGTVLCCFBKMCS-UHFFFAOYSA-N
    • SMILES: ClS(C1C=CC=C(C=1)C1C=CC=CC=1F)(=O)=O

Computed Properties

  • Exact Mass: 269.992
  • Monoisotopic Mass: 269.992
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 352
  • 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: 3.9
  • Topological Polar Surface Area: 42.5A^2

2'-Fluoro-[1,1'-biphenyl]-3-sulfonyl chloride Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Fluorochem
034224-250mg
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£160.00 2022-02-28
Fluorochem
034224-1g
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1g
£425.00 2022-02-28
Fluorochem
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Additional information on 2'-Fluoro-[1,1'-biphenyl]-3-sulfonyl chloride

Comprehensive Overview of 2'-Fluoro-[1,1'-biphenyl]-3-sulfonyl chloride (CAS No. 942475-00-5)

2'-Fluoro-[1,1'-biphenyl]-3-sulfonyl chloride (CAS No. 942475-00-5) is a specialized sulfonyl chloride derivative widely utilized in pharmaceutical and agrochemical research. This compound, characterized by its fluorinated biphenyl core, serves as a critical intermediate in the synthesis of bioactive molecules. Its unique molecular structure enables selective reactivity, making it invaluable for cross-coupling reactions and sulfonamide formation. Researchers increasingly focus on its applications in drug discovery, particularly for targeting enzyme inhibition and receptor modulation.

The growing demand for fluorinated compounds in modern chemistry has elevated the importance of 2'-Fluoro-[1,1'-biphenyl]-3-sulfonyl chloride. With the rise of precision medicine and green chemistry, this compound aligns with trends favoring sustainable synthesis and low-toxicity intermediates. Its compatibility with microwave-assisted reactions and flow chemistry further enhances its appeal in high-throughput screening. Common queries such as "How to purify 2'-Fluoro-[1,1'-biphenyl]-3-sulfonyl chloride?" or "What solvents are compatible with this sulfonyl chloride?" reflect its technical relevance in labs.

From a structural-activity relationship perspective, the fluoro substituent at the 2'-position significantly influences electronic distribution, improving binding affinity in target molecules. This attribute is pivotal for designing kinase inhibitors and antiviral agents, areas dominating recent PubMed and SciFinder searches. Analytical techniques like HPLC and NMR are essential for quality control, addressing frequent questions like "How to validate the purity of CAS No. 942475-00-5?".

In industrial contexts, 942475-00-5 is often discussed alongside scale-up challenges and cost-effective synthesis. Innovations in catalytic fluorination have reduced production costs, while patent literature highlights its role in next-generation therapeutics. The compound's stability under anhydrous conditions and compatibility with Grignard reagents are frequently cited advantages in organic synthesis forums.

Environmental considerations also shape its applications. As regulations tighten around persistent organic pollutants, the biodegradability profile of 2'-Fluoro-[1,1'-biphenyl]-3-sulfonyl chloride derivatives gains attention. Researchers explore its potential in bioconjugation for diagnostic probes, tapping into the booming theranostics market. Searches for "Alternative to toxic sulfonyl chlorides" often lead to this compound due to its balanced reactivity and safety profile.

Looking ahead, CAS No. 942475-00-5 is poised to play a key role in fragment-based drug design (FBDD) and DNA-encoded library (DEL) platforms. Its structural versatility supports diverse scaffold hopping strategies, a hot topic in medicinal chemistry circles. With AI-driven retrosynthesis tools increasingly referencing this compound, its integration into automated discovery pipelines is expected to accelerate.

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