Cas no 252552-10-6 (ethyl 4,6-dichloro-5-methyl-pyridine-3-carboxylate)

Ethyl 4,6-dichloro-5-methyl-pyridine-3-carboxylate is a versatile pyridine derivative widely used as a key intermediate in pharmaceutical and agrochemical synthesis. Its distinct dichloro and methyl substituents enhance reactivity, facilitating further functionalization in heterocyclic chemistry. The ester group at the 3-position offers flexibility for hydrolysis or substitution reactions, making it valuable for constructing complex molecular frameworks. This compound exhibits high purity and stability under standard storage conditions, ensuring consistent performance in synthetic applications. Its structural features make it particularly useful in the development of active ingredients for crop protection and medicinal chemistry, where precise functional group manipulation is critical.
ethyl 4,6-dichloro-5-methyl-pyridine-3-carboxylate structure
252552-10-6 structure
Product Name:ethyl 4,6-dichloro-5-methyl-pyridine-3-carboxylate
CAS No:252552-10-6
MF:C9H9Cl2NO2
MW:234.079260587692
MDL:MFCD22419055
CID:1036510
PubChem ID:10752136
Update Time:2025-10-20

ethyl 4,6-dichloro-5-methyl-pyridine-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 4,6-dichloro-5-methylnicotinate
    • ethyl 4,6-dichloro-5-methylpyridine-3-carboxylate
    • KLDOYPGZOWJLPL-UHFFFAOYSA-N
    • 2013AB
    • FCH1642467
    • AK121795
    • AX8246516
    • 4,6-Dichloro-5-methylpyridine-3-carboxylic acid ethyl ester
    • ethyl 4,6-dichloro-5-methyl-pyridine-3-carboxylate
    • A912120
    • CS-0134095
    • SCHEMBL15413222
    • AKOS016000669
    • SY120728
    • O11787
    • DA-43038
    • MFCD22419055
    • Ethyl4,6-dichloro-5-methylnicotinate
    • 252552-10-6
    • DTXSID60444406
    • AS-63118
    • MDL: MFCD22419055
    • Inchi: 1S/C9H9Cl2NO2/c1-3-14-9(13)6-4-12-8(11)5(2)7(6)10/h4H,3H2,1-2H3
    • InChI Key: KLDOYPGZOWJLPL-UHFFFAOYSA-N
    • SMILES: ClC1C(C)=C(N=CC=1C(=O)OCC)Cl

Computed Properties

  • Exact Mass: 233.0010339g/mol
  • Monoisotopic Mass: 233.0010339g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 213
  • 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: 39.2
  • XLogP3: 3

Experimental Properties

  • Boiling Point: 303.4±37.0°C at 760 mmHg

ethyl 4,6-dichloro-5-methyl-pyridine-3-carboxylate Security Information

ethyl 4,6-dichloro-5-methyl-pyridine-3-carboxylate Pricemore >>

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Additional information on ethyl 4,6-dichloro-5-methyl-pyridine-3-carboxylate

Comprehensive Guide to Ethyl 4,6-Dichloro-5-Methyl-Pyridine-3-Carboxylate (CAS No. 252552-10-6)

Ethyl 4,6-dichloro-5-methyl-pyridine-3-carboxylate (CAS No. 252552-10-6) is a specialized pyridine derivative widely recognized for its versatile applications in pharmaceutical and agrochemical research. This compound belongs to the class of heterocyclic carboxylates, featuring a unique structural framework that makes it valuable for synthetic chemistry and drug development. With the increasing demand for high-purity intermediates in modern research, this esterified pyridine derivative has garnered significant attention for its role in designing novel bioactive molecules.

The molecular structure of ethyl 4,6-dichloro-5-methyl-pyridine-3-carboxylate incorporates both chloro and methyl substituents, which enhance its reactivity in nucleophilic substitution and cross-coupling reactions. Researchers frequently explore its potential as a building block for APIs (Active Pharmaceutical Ingredients) due to its ability to undergo selective functionalization. Recent studies highlight its utility in developing crop protection agents, aligning with the global focus on sustainable agriculture and precision farming solutions.

From a synthetic perspective, CAS 252552-10-6 demonstrates remarkable stability under standard laboratory conditions, making it suitable for multi-step organic transformations. Its ester group offers flexibility for hydrolysis or transesterification, while the dichloro-methyl-pyridine core serves as a strategic handle for further derivatization. These properties address common challenges in medicinal chemistry, such as optimizing drug solubility and bioavailability – topics frequently searched in AI-driven drug discovery platforms.

Analytical characterization of ethyl 4,6-dichloro-5-methyl-pyridine-3-carboxylate typically involves advanced techniques like HPLC-MS and NMR spectroscopy, ensuring compliance with stringent quality standards required for research-grade chemicals. The compound's spectral fingerprints are well-documented in scientific literature, facilitating its identification in complex reaction mixtures – a crucial aspect for laboratories implementing high-throughput screening methodologies.

In the context of green chemistry innovations, this pyridine derivative presents opportunities for catalytic transformations that minimize waste generation. Its structural motifs frequently appear in patents related to biodegradable materials and eco-friendly synthesis routes, reflecting the chemical industry's shift toward sustainable practices. Such applications resonate with current searches for green alternatives in industrial processes.

Storage and handling recommendations for 252552-10-6 emphasize standard laboratory precautions for organic compounds. While not classified as hazardous under normal use conditions, proper ventilation and personal protective equipment are advised during manipulation – a detail often queried in chemical safety databases and laboratory workflow optimization forums.

The commercial availability of ethyl 4,6-dichloro-5-methyl-pyridine-3-carboxylate through specialty chemical suppliers has expanded significantly, with procurement options ranging from milligram-scale for exploratory research to kilogram quantities for process development. This accessibility supports its growing adoption in combinatorial chemistry and structure-activity relationship studies, particularly in academic and industrial settings investigating novel small molecule therapeutics.

Emerging research directions for this compound include its potential incorporation into metal-organic frameworks (MOFs) and functional materials, areas generating substantial interest in materials science communities. Its balanced lipophilicity and molecular geometry make it a candidate for developing advanced molecular sensors – a hot topic in nanotechnology applications discussions across scientific platforms.

For synthetic chemists, the regioselectivity exhibited by CAS 252552-10-6 in various reactions remains a subject of ongoing investigation. Computational chemistry approaches, including DFT calculations, are being employed to predict its behavior in complex reaction environments – aligning with the pharmaceutical industry's increasing reliance on in silico prediction tools to accelerate discovery pipelines.

Quality control specifications for research-grade ethyl 4,6-dichloro-5-methyl-pyridine-3-carboxylate typically require ≥98% purity by HPLC, with stringent limits on residual solvents and heavy metals. These parameters are critical for researchers seeking reproducible results in sensitive biological assays, a concern frequently voiced in experimental design discussions across research forums.

The compound's patent landscape reveals numerous applications in developing kinase inhibitors and antimicrobial agents, reflecting its pharmacological relevance. This connects with widespread searches for new antibiotic scaffolds amid growing antimicrobial resistance concerns. Its structural features are particularly valued for designing compounds with improved target selectivity – a key challenge in modern drug development.

From a regulatory standpoint, 252552-10-6 is not currently subject to special controls, facilitating its use across international research collaborations. However, researchers are advised to consult specific chemical compliance guidelines when shipping or transferring the material between institutions – a practical consideration often explored in global research logistics discussions.

In analytical method development, this pyridine derivative serves as a valuable chromatographic standard for method validation in pesticide residue analysis. This application gains importance with increased regulatory scrutiny of food safety protocols and environmental monitoring programs worldwide, topics generating substantial search traffic in analytical chemistry circles.

The future research potential of ethyl 4,6-dichloro-5-methyl-pyridine-3-carboxylate appears promising, particularly in exploring its structure-property relationships through systematic derivatization. As computational power and machine learning algorithms continue advancing chemical space exploration, compounds with such well-defined yet flexible scaffolds will likely play increasingly important roles in rational drug design paradigms.

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