Cas no 1133115-64-6 (Methyl 4,7-dichloro-8-methylquinoline-2-carboxylate)

Methyl 4,7-dichloro-8-methylquinoline-2-carboxylate is a synthetic quinoline derivative with significant utility in pharmaceutical and agrochemical research. Its structural framework, featuring dichloro and methyl substituents, enhances reactivity and selectivity, making it a valuable intermediate in the synthesis of bioactive compounds. The ester functional group at the 2-position offers versatility for further derivatization, while the chloro and methyl groups contribute to stability and lipophilicity. This compound is particularly useful in the development of antimicrobial and antimalarial agents due to its quinoline core. High purity and consistent quality ensure reliable performance in experimental and industrial applications.
Methyl 4,7-dichloro-8-methylquinoline-2-carboxylate structure
1133115-64-6 structure
Product Name:Methyl 4,7-dichloro-8-methylquinoline-2-carboxylate
CAS No:1133115-64-6
MF:C12H9Cl2NO2
MW:270.111361265183
MDL:MFCD11855878
CID:857383
PubChem ID:46739208
Update Time:2025-06-14

Methyl 4,7-dichloro-8-methylquinoline-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • METHYL 4,7-DICHLORO-8-METHYLQUINOLINE-2-CARBOXYLATE
    • ACMC-2099ie
    • AG-D-33049
    • AK-94477
    • ANW-16596
    • BD231392
    • CTK4A8218
    • KB-54266
    • MFCD11855878
    • 1133115-64-6
    • METHYL4,7-DICHLORO-8-METHYLQUINOLINE-2-CARBOXYLATE
    • SB68916
    • DTXSID10674832
    • AKOS012682881
    • BS-23618
    • DB-360770
    • Methyl 4,7-dichloro-8-methylquinoline-2-carboxylate
    • MDL: MFCD11855878
    • Inchi: 1S/C12H9Cl2NO2/c1-6-8(13)4-3-7-9(14)5-10(12(16)17-2)15-11(6)7/h3-5H,1-2H3
    • InChI Key: YCODGLFIKPZDTK-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C(=O)OC)N=C2C(C)=C(C=CC2=1)Cl

Computed Properties

  • Exact Mass: 269.00117
  • Monoisotopic Mass: 269.001
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 300
  • 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
  • Topological Polar Surface Area: 39.2A^2
  • XLogP3: 4

Experimental Properties

  • PSA: 39.19

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Additional information on Methyl 4,7-dichloro-8-methylquinoline-2-carboxylate

Comprehensive Overview of Methyl 4,7-dichloro-8-methylquinoline-2-carboxylate (CAS No. 1133115-64-6)

Methyl 4,7-dichloro-8-methylquinoline-2-carboxylate (CAS No. 1133115-64-6) is a highly specialized quinoline derivative with significant applications in pharmaceutical and agrochemical research. This compound belongs to the class of heterocyclic compounds, which are widely studied for their bioactive properties. The presence of chloro and methyl substituents on the quinoline backbone enhances its reactivity and potential utility in drug discovery and material science.

In recent years, the demand for quinoline-based compounds has surged due to their versatility in medicinal chemistry. Researchers are particularly interested in Methyl 4,7-dichloro-8-methylquinoline-2-carboxylate for its potential as a building block in the synthesis of novel therapeutics. Its structural features make it a candidate for targeting enzyme inhibition and receptor modulation, which are critical in treating diseases like cancer and infectious disorders.

The compound's CAS No. 1133115-64-6 is frequently searched in academic and industrial databases, reflecting its growing importance. Users often inquire about its synthetic routes, physicochemical properties, and safety data. For instance, questions like "How to synthesize Methyl 4,7-dichloro-8-methylquinoline-2-carboxylate?" or "What are the applications of quinoline derivatives in drug development?" are common in search engines and AI-driven platforms.

From a technical perspective, Methyl 4,7-dichloro-8-methylquinoline-2-carboxylate exhibits notable solubility in organic solvents such as dimethyl sulfoxide (DMSO) and methanol, which facilitates its use in laboratory settings. Its molecular weight and melting point are key parameters for researchers optimizing reaction conditions. Additionally, its stability under various pH conditions makes it suitable for long-term storage and transport.

Another trending topic related to this compound is its role in green chemistry. With increasing emphasis on sustainable practices, scientists are exploring eco-friendly synthesis methods for quinoline derivatives. Methyl 4,7-dichloro-8-methylquinoline-2-carboxylate is no exception, as researchers investigate catalyst-free or microwave-assisted reactions to reduce environmental impact.

In the agrochemical sector, Methyl 4,7-dichloro-8-methylquinoline-2-carboxylate is being evaluated for its potential as a pesticide intermediate. Its chlorinated structure aligns with the design of compounds that target pest-specific pathways, offering a selective and efficient alternative to traditional agrochemicals. This aligns with the global push toward precision agriculture and reduced chemical residues in food products.

For those handling Methyl 4,7-dichloro-8-methylquinoline-2-carboxylate, proper storage conditions are essential to maintain its integrity. Recommendations include keeping the compound in a cool, dry place away from light and moisture. These precautions are critical for ensuring consistent performance in experimental and industrial applications.

In summary, Methyl 4,7-dichloro-8-methylquinoline-2-carboxylate (CAS No. 1133115-64-6) is a multifaceted compound with expanding relevance in pharmaceutical, agrochemical, and material science fields. Its unique chemical properties and synthetic flexibility make it a valuable asset for researchers addressing contemporary challenges in health and sustainability.

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