Cas no 293294-71-0 (4-Chloro-6-(methoxycarbonyl)picolinic acid)

4-Chloro-6-(methoxycarbonyl)picolinic acid is a versatile intermediate in organic synthesis, particularly valued for its functionalized picolinic acid core. The presence of both chloro and methoxycarbonyl substituents at the 4- and 6-positions enhances its reactivity, making it a useful building block for pharmaceuticals, agrochemicals, and specialty chemicals. Its structural features allow for further derivatization, enabling the synthesis of complex heterocyclic compounds. The compound exhibits good stability under standard conditions, facilitating handling and storage. Its high purity and well-defined reactivity profile make it a reliable choice for precision synthesis applications, particularly in medicinal chemistry where tailored functionalization is critical.
4-Chloro-6-(methoxycarbonyl)picolinic acid structure
293294-71-0 structure
Product Name:4-Chloro-6-(methoxycarbonyl)picolinic acid
CAS No:293294-71-0
MF:C8H6ClNO4
MW:215.590541362762
MDL:MFCD12761219
CID:1033776
PubChem ID:45789198
Update Time:2025-06-08

4-Chloro-6-(methoxycarbonyl)picolinic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-6-(methoxycarbonyl)picolinic acid
    • 4-chloro-6-methoxycarbonylpyridine-2-carboxylic acid
    • 4-CHLORO-6-(METHOXYCARBONYL)PYRIDINE-2-CARBOXYLIC ACID
    • 293294-71-0
    • AKOS015901552
    • DTXSID20671857
    • 4-Chloro-6-(methoxycarbonyl)picolinicacid
    • SCHEMBL7078655
    • J-515076
    • DS-6975
    • AB66318
    • DB-305773
    • MDL: MFCD12761219
    • Inchi: 1S/C8H6ClNO4/c1-14-8(13)6-3-4(9)2-5(10-6)7(11)12/h2-3H,1H3,(H,11,12)
    • InChI Key: BIFNEYJNQSZEFT-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C(=O)O)N=C(C(=O)OC)C=1

Computed Properties

  • Exact Mass: 214.99900
  • Monoisotopic Mass: 214.9985354g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 246
  • 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: 1.5
  • Topological Polar Surface Area: 76.5?2

Experimental Properties

  • PSA: 76.49000
  • LogP: 1.21980

4-Chloro-6-(methoxycarbonyl)picolinic acid Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. 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:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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4-Chloro-6-(methoxycarbonyl)picolinic acid Production Method

Additional information on 4-Chloro-6-(methoxycarbonyl)picolinic acid

Comprehensive Overview of 4-Chloro-6-(methoxycarbonyl)picolinic acid (CAS No. 293294-71-0)

4-Chloro-6-(methoxycarbonyl)picolinic acid (CAS No. 293294-71-0) is a specialized picolinic acid derivative with significant applications in pharmaceutical and agrochemical research. This compound, characterized by its chloro and methoxycarbonyl functional groups, serves as a versatile intermediate in organic synthesis. Its molecular structure, C8H6ClNO4, offers unique reactivity, making it valuable for constructing complex molecules. Researchers frequently explore its potential in drug discovery and crop protection formulations, aligning with current trends in sustainable agriculture and precision medicine.

The growing demand for high-purity intermediates like 4-Chloro-6-(methoxycarbonyl)picolinic acid reflects the industry's focus on green chemistry and process optimization. With increasing searches for "eco-friendly synthesis methods" and "cost-effective chiral building blocks," this compound's role in catalysis and asymmetric synthesis gains prominence. Analytical techniques such as HPLC and NMR are commonly employed to verify its purity (>98%), a critical parameter for researchers investigating structure-activity relationships in medicinal chemistry projects.

Recent patent literature highlights innovative applications of 293294-71-0 in developing enzyme inhibitors and biodegradable herbicides, addressing two major search trends: "targeted disease therapeutics" and "environmentally benign agrochemicals." The compound's pyridine core facilitates hydrogen bonding interactions, while the ester moiety allows for further derivatization – features frequently discussed in forums about "molecular docking" and "lead compound optimization."

From a regulatory perspective, 4-Chloro-6-(methoxycarbonyl)picolinic acid complies with major chemical inventories (e.g., TSCA, EINECS), supporting its global research use. Storage recommendations typically suggest ambient temperature conditions in airtight containers, with stability data showing no significant degradation under proper handling – a practical consideration for laboratories prioritizing chemical safety and long-term storage stability.

The compound's structure-property relationships continue to attract computational chemistry studies, particularly in QSAR modeling and molecular dynamics simulations. These applications resonate with the rising interest in "AI-assisted drug design" and "predictive cheminformatics," as evidenced by search engine analytics. Furthermore, its moderate water solubility (reported at ~2.5 g/L at 25°C) makes it suitable for both aqueous and organic phase reactions, addressing formulation challenges in current drug delivery system research.

Industrial-scale production of CAS 293294-71-0 typically involves multi-step synthesis from commercially available picolinic acid precursors, with yield optimization being a frequent topic in process chemistry publications. The development of continuous flow methods for such intermediates represents an emerging area, coinciding with industry searches for "flow chemistry advantages" and "scale-up strategies for fine chemicals."

In analytical applications, 4-Chloro-6-(methoxycarbonyl)picolinic acid serves as a chromatographic reference standard due to its distinct UV absorption profile (λmax ~265 nm). This property proves valuable for method development in quality control laboratories, particularly for analyzing structurally related compounds in pharmaceutical formulations or environmental samples – areas generating substantial search traffic regarding "HPLC method validation" and "trace analysis techniques."

The compound's structure-activity profile has shown promise in recent studies exploring metallo-enzyme modulation, connecting to trending searches about "metal-binding pharmacophores" and "targeted cancer therapies." Its balanced lipophilicity (calculated logP ~1.2) and molecular weight (215.59 g/mol) position it within desirable ranges for bioavailability optimization, a key consideration in contemporary medicinal chemistry discussions.

As regulatory pressures increase for sustainable chemical processes, synthetic routes to 4-Chloro-6-(methoxycarbonyl)picolinic acid employing biocatalysis or renewable solvents are gaining attention. This aligns with laboratory professionals' growing interest in "green chemistry metrics" and "alternative synthetic methodologies," as reflected in search engine query patterns across academic and industrial chemistry communities.

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