Cas no 906820-08-4 (4-fluoroisoquinoline-5-sulfonyl chloride;hydrochloride)

4-Fluoroisoquinoline-5-sulfonyl chloride hydrochloride is a specialized sulfonyl chloride derivative used primarily as a key intermediate in organic synthesis and pharmaceutical research. Its reactive sulfonyl chloride group enables efficient derivatization, making it valuable for constructing sulfonamide-based compounds. The fluorine substituent enhances electronic properties, influencing reactivity and binding interactions in target molecules. This compound is particularly useful in medicinal chemistry for developing biologically active molecules due to its structural versatility. Supplied as the hydrochloride salt, it offers improved stability and handling. High purity grades ensure consistent performance in synthetic applications. Proper storage under anhydrous conditions is recommended to maintain reactivity.
4-fluoroisoquinoline-5-sulfonyl chloride;hydrochloride structure
906820-08-4 structure
Product Name:4-fluoroisoquinoline-5-sulfonyl chloride;hydrochloride
CAS No:906820-08-4
MF:C9H6Cl2FNO2S
MW:282.118842601776
MDL:MFCD30342446
CID:3031820
PubChem ID:86686407
Update Time:2025-10-30

4-fluoroisoquinoline-5-sulfonyl chloride;hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 4-Fluoroisoquinoline-5-sulfonyl chloride hydrochloride
    • 4-氟異喹啉-5-磺酰氯鹽酸鹽
    • 4-fluoro-isoquinoline-5-sulfonyl chloride hydrochloride
    • BCP31362
    • SB13189
    • 4-fluoroisoquinoline-5-sulfonyl chloride;hydrochloride
    • 4-Fluoroisoquinoline-5-sulfonyl chloride HCl
    • DB-106821
    • 906820-08-4
    • SCHEMBL999448
    • CZBQKKWMAVBCJX-UHFFFAOYSA-N
    • SY349713
    • MFCD30342446
    • 4-fluoroisoquinoline-5-sulfonylchloridehydrochloride
    • MDL: MFCD30342446
    • Inchi: 1S/C9H5ClFNO2S.ClH/c10-15(13,14)8-3-1-2-6-4-12-5-7(11)9(6)8;/h1-5H;1H
    • InChI Key: CZBQKKWMAVBCJX-UHFFFAOYSA-N
    • SMILES: ClS(C1=CC=CC2C=NC=C(C1=2)F)(=O)=O.Cl

Computed Properties

  • Exact Mass: 280.9480332g/mol
  • Monoisotopic Mass: 280.9480332g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 330
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 55.4

4-fluoroisoquinoline-5-sulfonyl chloride;hydrochloride Pricemore >>

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Additional information on 4-fluoroisoquinoline-5-sulfonyl chloride;hydrochloride

Comprehensive Overview of 4-Fluoroisoquinoline-5-sulfonyl chloride hydrochloride (CAS No. 906820-08-4)

4-Fluoroisoquinoline-5-sulfonyl chloride hydrochloride (CAS No. 906820-08-4) is a specialized sulfonyl chloride derivative widely utilized in pharmaceutical and agrochemical research. This compound belongs to the isoquinoline family, a class of heterocyclic aromatic organic compounds known for their diverse biological activities. The presence of a fluorine substituent enhances its reactivity and selectivity, making it a valuable intermediate in the synthesis of novel drug candidates and functional materials.

In recent years, the demand for fluorinated isoquinoline derivatives has surged due to their applications in medicinal chemistry and material science. Researchers are particularly interested in 4-Fluoroisoquinoline-5-sulfonyl chloride hydrochloride for its role in designing kinase inhibitors and antibacterial agents. Its unique structural features, including the sulfonyl chloride group, enable efficient conjugation with amines and alcohols, facilitating the development of targeted therapeutics.

The compound’s CAS No. 906820-08-4 is frequently searched in academic and industrial databases, reflecting its growing relevance in drug discovery. Users often inquire about its synthetic routes, purification methods, and stability under various conditions. Given the rising interest in fluorine-containing compounds, this derivative is also explored for its potential in PET imaging and bioconjugation techniques.

From a structural-activity relationship (SAR) perspective, the 4-fluoroisoquinoline core offers distinct advantages. The electron-withdrawing fluorine atom improves metabolic stability and binding affinity, while the sulfonyl chloride moiety allows for versatile derivatization. These properties align with current trends in fragment-based drug design and click chemistry, where modular building blocks are essential for rapid optimization.

In the context of green chemistry, researchers are investigating eco-friendly protocols for synthesizing 4-Fluoroisoquinoline-5-sulfonyl chloride hydrochloride. Questions about solvent-free reactions, catalytic efficiency, and waste reduction are common among sustainability-focused chemists. The compound’s compatibility with microwave-assisted synthesis and flow chemistry further underscores its adaptability to modern laboratory practices.

Analytical characterization of CAS No. 906820-08-4 typically involves NMR spectroscopy, mass spectrometry, and HPLC purity analysis. These techniques ensure precise quality control, which is critical for applications in high-throughput screening and combinatorial chemistry. Additionally, the hydrochloride salt form enhances solubility, simplifying formulation studies for preclinical development.

As the pharmaceutical industry shifts toward personalized medicine, intermediates like 4-Fluoroisoquinoline-5-sulfonyl chloride hydrochloride gain prominence. Its utility in constructing targeted covalent inhibitors and biodegradable linkers addresses key challenges in oncology and immunotherapy. Collaborative efforts between academia and biotech firms continue to expand its applications, driven by innovations in chemoinformatics and AI-driven molecular design.

In summary, 4-Fluoroisoquinoline-5-sulfonyl chloride hydrochloride (CAS No. 906820-08-4) exemplifies the intersection of structural innovation and practical utility. Its role in advancing drug development and material engineering positions it as a compound of enduring scientific and industrial significance.

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