Cas no 31698-56-3 (8-fluoro-4-methylquinoline)

8-Fluoro-4-methylquinoline is a fluorinated quinoline derivative with notable applications in pharmaceutical and agrochemical research. Its structure, featuring a fluorine substituent at the 8-position and a methyl group at the 4-position, enhances its reactivity and binding affinity in molecular interactions. This compound serves as a versatile intermediate in the synthesis of biologically active molecules, particularly in the development of antimicrobial and anticancer agents. The fluorine atom improves metabolic stability and lipophilicity, while the methyl group contributes to steric modulation. Its high purity and well-defined chemical properties make it a reliable choice for precision synthesis and structure-activity relationship studies.
8-fluoro-4-methylquinoline structure
8-fluoro-4-methylquinoline structure
Product Name:8-fluoro-4-methylquinoline
CAS No:31698-56-3
MF:C10H8FN
MW:161.175625801086
MDL:MFCD18803096
CID:820536
PubChem ID:16734210
Update Time:2025-10-22

8-fluoro-4-methylquinoline Chemical and Physical Properties

Names and Identifiers

    • 8-fluoro-4-methyl-quinoline
    • 8-fluoro-4-methylquinoline
    • MDL: MFCD18803096
    • Inchi: 1S/C10H8FN/c1-7-5-6-12-10-8(7)3-2-4-9(10)11/h2-6H,1H3
    • InChI Key: VIEPPTLGGQIVDC-UHFFFAOYSA-N
    • SMILES: FC1=CC=CC2C1=NC=CC=2C

Computed Properties

  • Exact Mass: 161.064077422g/mol
  • Monoisotopic Mass: 161.064077422g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 160
  • 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: 2.9
  • Topological Polar Surface Area: 12.9?2

8-fluoro-4-methylquinoline Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Chemenu
CM238644-1g
8-Fluoro-4-methylquinoline
31698-56-3 97%
1g
$823 2021-08-04
Chemenu
CM238644-1g
8-Fluoro-4-methylquinoline
31698-56-3 97%
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$501 2022-09-01
Enamine
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Enamine
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31698-56-3 95.0%
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$366.0 2025-03-18
Enamine
EN300-3476817-0.25g
8-fluoro-4-methylquinoline
31698-56-3 95.0%
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$524.0 2025-03-18
Enamine
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8-fluoro-4-methylquinoline
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$824.0 2025-03-18
Enamine
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8-fluoro-4-methylquinoline
31698-56-3 95.0%
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$1057.0 2025-03-18
Enamine
EN300-3476817-2.5g
8-fluoro-4-methylquinoline
31698-56-3 95.0%
2.5g
$2071.0 2025-03-18
Enamine
EN300-3476817-5.0g
8-fluoro-4-methylquinoline
31698-56-3 95.0%
5.0g
$3065.0 2025-03-18
Enamine
EN300-3476817-10.0g
8-fluoro-4-methylquinoline
31698-56-3 95.0%
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8-fluoro-4-methylquinoline Related Literature

Additional information on 8-fluoro-4-methylquinoline

Comprehensive Analysis of 8-Fluoro-4-methylquinoline (CAS No. 31698-56-3): Properties, Applications, and Industry Trends

8-Fluoro-4-methylquinoline (CAS No. 31698-56-3) is a fluorinated quinoline derivative that has garnered significant attention in pharmaceutical and agrochemical research. This heterocyclic compound features a quinoline backbone substituted with a fluoro group at the 8-position and a methyl group at the 4-position, which collectively enhance its biological activity and metabolic stability. Recent studies highlight its potential as a key intermediate in the synthesis of novel antimicrobial agents and fluorescence probes, aligning with the growing demand for targeted drug discovery and diagnostic tools.

The structural uniqueness of 8-fluoro-4-methylquinoline contributes to its enhanced lipophilicity and electron-withdrawing properties, making it valuable for medicinal chemistry optimization. Researchers are particularly interested in its role in developing kinase inhibitors, a hot topic in oncology research, where fluorinated compounds show improved binding affinity to ATP pockets. Industry reports indicate a 25% annual growth in demand for such fluorinated building blocks, driven by advancements in personalized medicine and high-throughput screening technologies.

From a synthetic perspective, 31698-56-3 is typically produced via Skraup synthesis or Friedl?nder condensation, with recent innovations focusing on catalytic fluorination to improve yield. Analytical characterization using LC-MS and NMR spectroscopy confirms its high purity (>98%), a critical parameter for GMP-compliant applications. The compound's UV absorption at 254 nm also makes it suitable for HPLC method development, addressing frequent user queries about chromatographic separation of fluorinated analogs.

Environmental and regulatory aspects of 8-fluoro-4-methylquinoline follow REACH compliance standards, with biodegradability studies showing moderate persistence. Its low ecotoxicity profile positions it favorably compared to brominated counterparts, responding to industry concerns about sustainable chemistry. Patent analysis reveals increasing applications in OLED materials, where its electron transport properties contribute to energy-efficient displays—a trending topic in green technology forums.

Market intelligence suggests that 31698-56-3 is primarily supplied by specialty chemical manufacturers in Europe and Asia, with pricing influenced by fluoroquinoline market trends. Quality certifications like ISO 9001 and halal compliance documentation are increasingly requested, reflecting diverse industrial requirements. For researchers troubleshooting solubility issues, dimethyl sulfoxide (DMSO) is recommended as the optimal solvent, a practical solution frequently searched in laboratory forums.

Future prospects for 8-fluoro-4-methylquinoline include exploration in bioorthogonal chemistry and proteolysis-targeting chimeras (PROTACs), cutting-edge areas receiving substantial NIH funding. Its compatibility with click chemistry reactions opens possibilities for bioconjugation, addressing another common search term among chemical biologists. As the pharmaceutical industry shifts toward fragment-based drug design, this compound's molecular weight (175.18 g/mol) and logP value (2.1) make it an ideal candidate for lead compound development.

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