Cas no 50840-02-3 (Ethyl 2-chloro-4-methylnicotinate)

Ethyl 2-chloro-4-methylnicotinate is a versatile nicotinate ester derivative, primarily utilized as a key intermediate in pharmaceutical and agrochemical synthesis. Its chlorinated and methyl-substituted pyridine structure enables selective reactivity, making it valuable for constructing complex heterocyclic compounds. The ethyl ester group enhances solubility in organic solvents, facilitating further functionalization. This compound is particularly useful in the development of active pharmaceutical ingredients (APIs) and crop protection agents due to its stability and compatibility with various reaction conditions. High purity grades are available to ensure consistent performance in research and industrial applications. Proper handling under inert conditions is recommended to maintain integrity.
Ethyl 2-chloro-4-methylnicotinate structure
50840-02-3 structure
Product Name:Ethyl 2-chloro-4-methylnicotinate
CAS No:50840-02-3
MF:C9H10ClNO2
MW:199.634201526642
MDL:MFCD11501333
CID:1084095
PubChem ID:11769512
Update Time:2025-09-27

Ethyl 2-chloro-4-methylnicotinate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 2-chloro-4-methylnicotinate
    • 2-Chloro-4-methyl-nicotinic acid ethyl ester
    • ethyl 2-chloro-4-methylpyridine-3-carboxylate
    • ethyl 2-chloro-4-methyl-3-pyridinecarboxylate
    • AKOS006325440
    • Ethyl 2-chloro-4-methyl-nicotinate
    • A848657
    • ethyl2-chloro-4-methylnicotinate
    • DTXSID60472148
    • AS-37758
    • DB-127701
    • 50840-02-3
    • ZCCWUIFQBCQSAS-UHFFFAOYSA-N
    • Ethyl 2-chloro-4-methylnicotinate, AldrichCPR
    • SB52954
    • J-521307
    • SCHEMBL2527607
    • MFCD11501333
    • 2-chloro-4-methyl-3-pyridinecarboxylic acid ethyl ester
    • 2-chloro-4-methylnicotinic acid ethyl ester
    • CS-0135022
    • MDL: MFCD11501333
    • Inchi: 1S/C9H10ClNO2/c1-3-13-9(12)7-6(2)4-5-11-8(7)10/h4-5H,3H2,1-2H3
    • InChI Key: ZCCWUIFQBCQSAS-UHFFFAOYSA-N
    • SMILES: ClC1C(C(=O)OCC)=C(C)C=CN=1

Computed Properties

  • Exact Mass: 199.04000
  • Monoisotopic Mass: 199.0400063g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 187
  • 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: 2.4
  • Topological Polar Surface Area: 39.2?2

Experimental Properties

  • Color/Form: Pale-yellow to Yellow-brown Liquid
  • Density: 1.208
  • Boiling Point: 274.725°C at 760 mmHg
  • Flash Point: 119.95°C
  • Refractive Index: 1.523
  • PSA: 39.19000
  • LogP: 2.22010

Ethyl 2-chloro-4-methylnicotinate Security Information

  • Signal Word:Warning
  • Hazard Statement: H302
  • Warning Statement: P301+P312+P330
  • Storage Condition:2-8 °C

Ethyl 2-chloro-4-methylnicotinate 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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Ethyl 2-chloro-4-methylnicotinate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:50840-02-3)Ethyl 2-chloro-4-methylnicotinate
Order Number:A848657
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 07:21
Price ($):732.0

Additional information on Ethyl 2-chloro-4-methylnicotinate

Ethyl 2-chloro-4-methylnicotinate (CAS No. 50840-02-3): Properties, Applications, and Market Insights

Ethyl 2-chloro-4-methylnicotinate (CAS No. 50840-02-3) is a specialized chemical compound widely used in pharmaceutical and agrochemical research. This ester derivative of nicotinic acid has gained significant attention due to its versatile applications in drug synthesis and material science. With the increasing demand for heterocyclic compounds in medicinal chemistry, 2-chloro-4-methylnicotinate derivatives like this one are becoming crucial building blocks for researchers.

The molecular structure of Ethyl 2-chloro-4-methylnicotinate features a pyridine ring substituted with chlorine at position 2 and a methyl group at position 4, esterified with ethanol. This unique arrangement contributes to its reactivity and makes it valuable for various organic synthesis applications. Recent studies highlight its potential in creating novel pharmaceutical intermediates, particularly in developing kinase inhibitors and other bioactive molecules.

In the pharmaceutical industry, CAS 50840-02-3 serves as a key precursor for synthesizing more complex molecules. Its chloronicotinate moiety allows for selective functionalization, making it popular among medicinal chemists working on targeted drug discovery. The compound's stability and solubility profile also contribute to its widespread use in laboratory settings.

The agrochemical sector has shown growing interest in Ethyl 2-chloro-4-methylnicotinate derivatives for developing new crop protection agents. Researchers are exploring its potential in creating novel pesticide formulations that are more environmentally friendly while maintaining high efficacy. This aligns with current industry trends toward sustainable agriculture chemicals.

From a synthetic chemistry perspective, 2-chloro-4-methylnicotinic acid ethyl ester offers several advantages. Its electron-withdrawing chlorine atom activates the pyridine ring for nucleophilic substitution reactions, while the ester group provides additional sites for modification. These properties make it valuable for constructing complex heterocyclic systems found in many bioactive compounds.

The global market for nicotinate derivatives like Ethyl 2-chloro-4-methylnicotinate has been steadily growing, driven by increased R&D investment in pharmaceutical and agricultural sectors. Manufacturers are focusing on improving production processes to meet the rising demand for high-purity chemical intermediates in these industries.

Quality control is paramount when working with CAS 50840-02-3. Reputable suppliers typically provide comprehensive analytical data including HPLC purity, NMR spectra, and mass spectrometry results. Researchers should verify these specifications when sourcing the compound for sensitive applications like drug development or material science research.

Storage and handling of Ethyl 2-chloro-4-methylnicotinate require standard laboratory precautions. While not classified as highly hazardous, proper ventilation and personal protective equipment are recommended when working with this compound. Its stability under normal conditions makes it convenient for laboratory use and transportation.

Recent patents highlight innovative applications of 2-chloro-4-methylnicotinate derivatives in various fields. Some focus on their use in developing new therapeutic agents, while others explore their potential in advanced materials. This growing patent activity indicates sustained interest in this chemical class among researchers and industrial developers.

The synthesis of Ethyl 2-chloro-4-methylnicotinate typically involves multi-step processes starting from commercially available nicotinic acid derivatives. Modern synthetic approaches aim to improve yields and reduce environmental impact, reflecting the chemical industry's shift toward green chemistry principles.

Analytical characterization of CAS 50840-02-3 employs standard techniques including spectroscopic methods (IR, NMR, MS) and chromatographic analysis. These methods ensure product identity and purity, which are critical for research applications where consistent quality is essential.

Future research directions for Ethyl 2-chloro-4-methylnicotinate may explore its potential in emerging areas like bioconjugation chemistry or metal-organic frameworks. As synthetic methodologies advance, new applications for this versatile building block are likely to emerge in both academic and industrial settings.

For researchers considering 2-chloro-4-methylnicotinic acid ethyl ester for their projects, consulting recent literature is recommended. Numerous studies have investigated its reactivity patterns and potential transformations, providing valuable insights for designing synthetic routes to more complex target molecules.

The pricing and availability of Ethyl 2-chloro-4-methylnicotinate vary depending on quantity and purity requirements. Bulk quantities for industrial applications may offer cost advantages, while small-scale research quantities are typically available from specialty chemical suppliers with shorter lead times.

Environmental considerations for CAS 50840-02-3 include proper waste disposal according to local regulations. While not classified as a persistent environmental pollutant, responsible handling practices should be followed to minimize any potential ecological impact from laboratory or industrial use.

In conclusion, Ethyl 2-chloro-4-methylnicotinate (CAS No. 50840-02-3) represents an important chemical building block with diverse applications in pharmaceutical and agrochemical research. Its unique structural features and reactivity profile continue to make it valuable for synthetic chemists developing new bioactive compounds and functional materials.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:50840-02-3)Ethyl 2-chloro-4-methylnicotinate
A848657
Purity:99%
Quantity:5g
Price ($):732.0
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