Cas no 39998-25-9 (Methyl 2-(pyridin-3-yl)acetate)

Methyl 2-(pyridin-3-yl)acetate is a pyridine derivative ester with applications in organic synthesis and pharmaceutical intermediates. Its structure combines a pyridine ring with an ester functional group, offering reactivity for further chemical modifications. The compound is valued for its role in constructing heterocyclic frameworks and as a precursor in medicinal chemistry. It exhibits good solubility in common organic solvents, facilitating its use in various reaction conditions. The ester group enhances its versatility for hydrolysis, reduction, or nucleophilic substitution reactions. Proper handling under inert conditions is recommended due to potential sensitivity to moisture. Storage in a cool, dry environment ensures stability.
Methyl 2-(pyridin-3-yl)acetate structure
39998-25-9 structure
Product Name:Methyl 2-(pyridin-3-yl)acetate
CAS No:39998-25-9
MF:C8H9NO2
MW:151.162562131882
MDL:MFCD00023617
CID:55138
PubChem ID:96475
Update Time:2025-05-23

Methyl 2-(pyridin-3-yl)acetate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-(pyridin-3-yl)acetate
    • methyl 2-pyridin-3-ylacetate
    • Methyl pyridin-3-ylacetate
    • methyl pyridine-3-acetate
    • Methyl 3-pyridineacetate
    • methyl pyridylacetate
    • pyridin-3-yl-acetic acid methyl ester
    • TS-01995
    • 3-Pyridineacetic acid,methyl ester
    • AKOS006275346
    • AB11862
    • SCHEMBL178130
    • ADN2SK8N6P
    • BCP28320
    • 3-Pyridineacetic acid, methyl ester
    • A825800
    • NSC75852
    • METHYL 3-PYRIDYLACETATE
    • PB30559
    • 2-(3-pyridinyl)acetic acid methyl ester
    • 39998-25-9
    • PZXIEBDIPWIRGB-UHFFFAOYSA-N
    • FT-0646185
    • DTXSID10193053
    • SY033634
    • EINECS 254-739-0
    • EN300-107006
    • NSC 75852
    • AMY30397
    • Methyl 3-pyridinylacetate
    • Methyl 2-(3-Pyridyl)acetate
    • methyl 2-pyridin-3-ylethanoate
    • CS-0037030
    • MFCD00023617
    • NSC-75852
    • Methyl2-(pyridin-3-yl)acetate
    • NS00030692
    • DB-030009
    • MDL: MFCD00023617
    • Inchi: 1S/C8H9NO2/c1-11-8(10)5-7-3-2-4-9-6-7/h2-4,6H,5H2,1H3
    • InChI Key: PZXIEBDIPWIRGB-UHFFFAOYSA-N
    • SMILES: O(C)C(CC1C=NC=CC=1)=O

Computed Properties

  • Exact Mass: 151.06300
  • Monoisotopic Mass: 151.063328530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 136
  • 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: 0.3
  • Topological Polar Surface Area: 39.2?2

Experimental Properties

  • PSA: 39.19000
  • LogP: 0.79710

Methyl 2-(pyridin-3-yl)acetate 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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Methyl 2-(pyridin-3-yl)acetate Production Method

Methyl 2-(pyridin-3-yl)acetate Suppliers

Amadis Chemical Company Limited
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Audited Supplier Audited Supplier
(CAS:39998-25-9)Methyl 2-(pyridin-3-yl)acetate
Order Number:A824842
Stock Status:in Stock
Quantity:100g/25g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:10
Price ($):913.0/276.0

Additional information on Methyl 2-(pyridin-3-yl)acetate

Research Brief on Methyl 2-(pyridin-3-yl)acetate (CAS: 39998-25-9) in Chemical Biology and Pharmaceutical Applications

Methyl 2-(pyridin-3-yl)acetate (CAS: 39998-25-9) is a key intermediate in the synthesis of various bioactive compounds and pharmaceuticals. Recent studies have highlighted its significance in drug discovery, particularly in the development of kinase inhibitors and anti-inflammatory agents. This research brief consolidates the latest findings on the compound, focusing on its synthetic applications, biological activities, and potential therapeutic uses.

A 2023 study published in the Journal of Medicinal Chemistry explored the role of Methyl 2-(pyridin-3-yl)acetate as a precursor in the synthesis of novel pyridine-based kinase inhibitors. The research demonstrated that derivatives of this compound exhibited potent inhibitory activity against EGFR and VEGFR2, suggesting its utility in targeted cancer therapies. The study employed molecular docking and in vitro assays to validate the compound's binding affinity and selectivity.

In another recent investigation, researchers utilized Methyl 2-(pyridin-3-yl)acetate to develop a series of anti-inflammatory agents. The compound's pyridine moiety was found to interact with COX-2 enzymes, reducing prostaglandin production in murine models. These findings, published in Bioorganic & Medicinal Chemistry Letters, underscore the compound's potential in treating chronic inflammatory diseases.

Advancements in synthetic methodologies have also been reported. A 2024 paper in Organic Process Research & Development detailed a green chemistry approach to synthesize Methyl 2-(pyridin-3-yl)acetate with improved yield and reduced environmental impact. The optimized process employed catalytic hydrogenation and solvent-free conditions, aligning with sustainable pharmaceutical manufacturing practices.

Despite these promising developments, challenges remain in scaling up production and ensuring the compound's stability under physiological conditions. Future research directions may include structural modifications to enhance bioavailability and reduce off-target effects. Collaborative efforts between academic and industrial researchers are expected to drive further innovations in this area.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:39998-25-9)Methyl 2-(pyridin-3-yl)acetate
A824842
Purity:99%/99%
Quantity:100g/25g
Price ($):913.0/276.0
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