Cas no 254883-95-9 (6-Methylquinoline-3-carboxylic acid)

6-Methylquinoline-3-carboxylic acid is a quinoline derivative with a carboxylic acid functional group at the 3-position and a methyl substituent at the 6-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and coordination chemistry applications. Its structural features enable further derivatization, making it valuable for constructing complex heterocyclic frameworks. The carboxylic acid group allows for easy functionalization via esterification, amidation, or metal complexation. The methyl group enhances solubility and influences electronic properties, facilitating tailored modifications. This compound is typically characterized by high purity and stability, ensuring reliable performance in synthetic workflows.
6-Methylquinoline-3-carboxylic acid structure
254883-95-9 structure
Product Name:6-Methylquinoline-3-carboxylic acid
CAS No:254883-95-9
MF:C11H9NO2
MW:187.194662809372
MDL:MFCD09787840
CID:851990
PubChem ID:14672822
Update Time:2025-05-22

6-Methylquinoline-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 6-Methylquinoline-3-carboxylic acid
    • 4-HYDROXY-2-METHYLQUINOLINE-8-CARBOXYLIC ACID
    • AB52359
    • AGN-PC-002C7Z
    • AK134249
    • CTK8E5441
    • KB-249205
    • SureCN7728789
    • 254883-95-9
    • SCHEMBL7728789
    • AKOS006282349
    • DB-067407
    • 6-METHYLQUINOLINE-3-CARBOXYLICACID
    • EN300-246232
    • MFCD09787840
    • 6-methylquinoline-3-carboxylic acid, AldrichCPR
    • J-016014
    • CS-0205719
    • DTXSID30562883
    • MDL: MFCD09787840
    • Inchi: 1S/C11H9NO2/c1-7-2-3-10-8(4-7)5-9(6-12-10)11(13)14/h2-6H,1H3,(H,13,14)
    • InChI Key: XILGKXKKWQIQNQ-UHFFFAOYSA-N
    • SMILES: OC(C1=CN=C2C=CC(C)=CC2=C1)=O

Computed Properties

  • Exact Mass: 187.06300
  • Monoisotopic Mass: 187.063328530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 229
  • 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: 2.1
  • Topological Polar Surface Area: 50.2?2

Experimental Properties

  • PSA: 50.19000
  • LogP: 2.24140

6-Methylquinoline-3-carboxylic acid Customs Data

  • HS CODE:2933499090
  • Customs Data:

    China Customs Code:

    2933499090

    Overview:

    2933499090. Other compounds containing quinoline or isoquinoline ring system [but not further fused]. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

6-Methylquinoline-3-carboxylic acid Pricemore >>

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Additional information on 6-Methylquinoline-3-carboxylic acid

6-Methylquinoline-3-carboxylic Acid: A Comprehensive Overview

6-Methylquinoline-3-carboxylic acid, with the CAS number 254883-95-9, is a significant compound in the field of organic chemistry and pharmacology. This compound belongs to the quinoline family, which has been extensively studied due to its unique structural properties and diverse applications. The presence of a methyl group at the 6-position and a carboxylic acid group at the 3-position imparts distinctive chemical and biological characteristics to this molecule. Recent advancements in synthetic methodologies and bioactivity studies have further highlighted its potential in various scientific domains.

The synthesis of 6-Methylquinoline-3-carboxylic acid involves a series of intricate organic reactions, often leveraging modern catalytic systems and green chemistry principles. Researchers have explored various pathways, including Friedl?nder-type synthesis and modular assembly strategies, to optimize the production process. These methods not only enhance yield but also minimize environmental impact, aligning with current sustainability goals in chemical manufacturing.

In terms of applications, 6-Methylquinoline-3-carboxylic acid has shown promise in drug discovery programs targeting various therapeutic areas. Its structural versatility allows it to act as a scaffold for designing bioactive molecules with potential anti-inflammatory, anticancer, and antimicrobial properties. Recent studies have demonstrated its ability to modulate key cellular pathways, making it a valuable lead compound for developing novel therapeutics.

The biological activity of 6-Methylquinoline-3-carboxylic acid is closely tied to its ability to interact with specific protein targets. Advanced computational techniques, such as molecular docking and dynamics simulations, have provided insights into these interactions. For instance, studies have revealed its potential as an inhibitor of kinases involved in cancer progression, underscoring its role in oncology research.

In addition to its pharmacological applications, 6-Methylquinoline-3-carboxylic acid has also found utility in materials science. Its aromatic structure and functional groups make it suitable for use in designing advanced materials, such as organic semiconductors and sensors. Ongoing research is exploring its integration into nanotechnology platforms, which could revolutionize fields like electronics and environmental monitoring.

The study of 6-Methylquinoline-3-carboxylic acid continues to evolve with the advent of cutting-edge analytical tools. Techniques like X-ray crystallography and NMR spectroscopy have enabled precise characterization of its molecular structure and conformational dynamics. These insights are crucial for understanding its behavior in different chemical environments and optimizing its performance in practical applications.

In conclusion, 6-Methylquinoline-3-carboxylic acid, CAS number 254883-95-9, stands out as a multifaceted compound with immense potential across various scientific disciplines. Its unique structure, coupled with recent advancements in synthesis and application studies, positions it as a key player in future research endeavors. As ongoing investigations unravel more about its properties and capabilities, this compound is poised to make significant contributions to both academic and industrial sectors.

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