Cas no 56824-91-0 (Ethyl 4,8-dichloroquinoline-3-carboxylate)

Ethyl 4,8-dichloroquinoline-3-carboxylate is a versatile quinoline derivative with applications in pharmaceutical and agrochemical research. Its structure features reactive chloro substituents at the 4- and 8-positions and an ester group at the 3-position, enabling further functionalization for the synthesis of complex heterocyclic compounds. This intermediate is particularly valued for its role in developing bioactive molecules, including potential antimicrobial and antitumor agents. The compound exhibits high purity and stability under standard storage conditions, ensuring reliable performance in synthetic workflows. Its well-defined reactivity profile makes it a useful building block for medicinal chemistry and material science applications.
Ethyl 4,8-dichloroquinoline-3-carboxylate structure
56824-91-0 structure
Product Name:Ethyl 4,8-dichloroquinoline-3-carboxylate
CAS No:56824-91-0
MF:C12H9Cl2NO2
MW:270.111361265183
MDL:MFCD00173351
CID:1037472
PubChem ID:728974
Update Time:2025-06-09

Ethyl 4,8-dichloroquinoline-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 4,8-dichloroquinoline-3-carboxylate
    • 4,8-Dichloro-quinoline-3-carboxylic acid ethyl ester
    • Oprea1_431244
    • SR-01000438238
    • SY065546
    • SB37703
    • 4,8-dichloroquinoline-3-carboxylic acid ethyl ester
    • STL241525
    • SR-01000438238-1
    • MFCD00173351
    • HINLPSGAVZPTIW-UHFFFAOYSA-N
    • 5J-039
    • IDI1_033405
    • 56824-91-0
    • TimTec1_007751
    • ethyl-4,8-dichloroquinoline-3-carboxylate
    • DB-072196
    • Ethyl4,8-dichloroquinoline-3-carboxylate
    • BBL028331
    • SCHEMBL2017369
    • CS-0061560
    • HMS1556A07
    • AKOS000201606
    • DTXSID40352550
    • MDL: MFCD00173351
    • Inchi: 1S/C12H9Cl2NO2/c1-2-17-12(16)8-6-15-11-7(10(8)14)4-3-5-9(11)13/h3-6H,2H2,1H3
    • InChI Key: HINLPSGAVZPTIW-UHFFFAOYSA-N
    • SMILES: ClC1C(C(=O)OCC)=CN=C2C(=CC=CC2=1)Cl

Computed Properties

  • Exact Mass: 269.00100
  • Monoisotopic Mass: 269.0010339g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 288
  • 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: 3.7
  • Topological Polar Surface Area: 39.2?2

Experimental Properties

  • Density: 1.384
  • Boiling Point: 360°C at 760 mmHg
  • Flash Point: 171.5°C
  • Refractive Index: 1.618
  • Water Partition Coefficient: Slightly soluble in water.
  • PSA: 39.19000
  • LogP: 3.71830

Ethyl 4,8-dichloroquinoline-3-carboxylate 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%

Ethyl 4,8-dichloroquinoline-3-carboxylate Pricemore >>

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Additional information on Ethyl 4,8-dichloroquinoline-3-carboxylate

Comprehensive Overview of Ethyl 4,8-dichloroquinoline-3-carboxylate (CAS No. 56824-91-0)

Ethyl 4,8-dichloroquinoline-3-carboxylate (CAS No. 56824-91-0) is a specialized organic compound widely recognized in pharmaceutical and agrochemical research. This quinoline derivative is characterized by its unique molecular structure, featuring two chlorine atoms at the 4 and 8 positions and an ethyl ester group at the 3-position. The compound's versatility makes it a valuable intermediate in synthesizing bioactive molecules, particularly in the development of antimicrobial and anti-inflammatory agents. Researchers and industries are increasingly exploring its potential due to its structural adaptability and functional group reactivity.

In recent years, the demand for Ethyl 4,8-dichloroquinoline-3-carboxylate has surged, driven by its applications in drug discovery and material science. A growing trend in green chemistry has also influenced its synthesis methods, with a focus on minimizing environmental impact. For instance, catalytic processes and solvent-free reactions are now being optimized to produce this compound more sustainably. This aligns with the broader industry shift toward eco-friendly synthesis, a topic frequently searched by professionals in organic chemistry forums and academic circles.

The compound's mechanistic role in heterocyclic chemistry is another area of interest. Quinoline derivatives like Ethyl 4,8-dichloroquinoline-3-carboxylate are pivotal in constructing complex molecular frameworks, often serving as precursors for ligands or catalysts. Its electron-withdrawing properties and steric effects make it particularly useful in cross-coupling reactions, a hot topic in synthetic organic chemistry. Searches for "quinoline-based cross-coupling" or "halogenated quinoline applications" reflect the scientific community's curiosity about these processes.

From a commercial perspective, Ethyl 4,8-dichloroquinoline-3-carboxylate is supplied by leading chemical manufacturers with high purity grades (>98%), catering to R&D and industrial-scale production. Quality control protocols, such as HPLC and NMR analysis, ensure consistency, addressing another common query: "How to verify quinoline derivative purity?" The compound's stability under standard storage conditions (room temperature, inert atmosphere) further enhances its practicality for laboratories and production facilities.

Emerging studies highlight the compound's potential in material science, particularly in designing organic semiconductors or luminescent materials. Its conjugated system and halogen substituents offer tunable electronic properties, a feature explored in recent publications on "quinoline-based optoelectronic materials." This interdisciplinary appeal bridges chemistry and engineering, attracting attention from both academic and industrial researchers.

In summary, Ethyl 4,8-dichloroquinoline-3-carboxylate (CAS No. 56824-91-0) exemplifies the intersection of innovation and utility in modern chemistry. Its multifaceted applications—from pharmaceuticals to advanced materials—coupled with evolving synthetic methodologies, position it as a compound of enduring relevance. As research continues to uncover new possibilities, this quinoline derivative remains a focal point for scientists addressing challenges in synthesis, sustainability, and functional material design.

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