Cas no 1220039-65-5 (Methyl 4-Chloropyrido3,4-dpyrimidine-2-carboxylate)

Methyl 4-Chloropyrido3,4-dpyrimidine-2-carboxylate structure
1220039-65-5 structure
Product Name:Methyl 4-Chloropyrido3,4-dpyrimidine-2-carboxylate
CAS No:1220039-65-5
MF:C9H6ClN3O2
MW:223.615840435028
MDL:MFCD13195306
CID:1081511
PubChem ID:52987788
Update Time:2025-07-19

Methyl 4-Chloropyrido3,4-dpyrimidine-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-chloropyrido[3,4-d]pyrimidine-2-carboxylate
    • 4-Chloro-pyrido[3,4-d]pyrimidine-2-carboxylic acid methyl ester
    • DB-360793
    • Methyl4-chloropyrido[3,4-d]pyrimidine-2-carboxylate
    • DTXSID20680964
    • 1220039-65-5
    • CS-0039515
    • VYB03965
    • MFCD13195306
    • Pyrido[3,4-d]pyrimidine-2-carboxylic acid, 4-chloro-, methyl ester
    • SB31935
    • Methyl 4-Chloropyrido3,4-dpyrimidine-2-carboxylate
    • MDL: MFCD13195306
    • Inchi: 1S/C9H6ClN3O2/c1-15-9(14)8-12-6-4-11-3-2-5(6)7(10)13-8/h2-4H,1H3
    • InChI Key: ZYOTXZCWBGAGRH-UHFFFAOYSA-N
    • SMILES: ClC1=C2C=CN=CC2=NC(C(=O)OC)=N1

Computed Properties

  • Exact Mass: 223.0148541g/mol
  • Monoisotopic Mass: 223.0148541g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 252
  • 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: 1.6
  • Topological Polar Surface Area: 65?2

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Additional information on Methyl 4-Chloropyrido3,4-dpyrimidine-2-carboxylate

Comprehensive Overview of Methyl 4-Chloropyrido[3,4-d]pyrimidine-2-carboxylate (CAS 1220039-65-5)

Methyl 4-Chloropyrido[3,4-d]pyrimidine-2-carboxylate (CAS 1220039-65-5) is a heterocyclic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural properties. This compound belongs to the pyridopyrimidine family, a class of nitrogen-containing heterocycles known for their broad biological activities. Researchers are increasingly exploring its potential as a building block for drug discovery, particularly in the development of kinase inhibitors and antimicrobial agents.

The molecular structure of Methyl 4-Chloropyrido[3,4-d]pyrimidine-2-carboxylate features a chlorine substituent at the 4-position and a methyl ester group at the 2-position, which contribute to its reactivity and versatility in synthetic chemistry. These functional groups make it an ideal intermediate for structure-activity relationship (SAR) studies, enabling the creation of derivatives with tailored properties. Recent publications highlight its utility in medicinal chemistry, where it serves as a precursor for compounds targeting inflammatory diseases and metabolic disorders.

In the context of green chemistry trends, synthetic methodologies for CAS 1220039-65-5 have evolved to emphasize atom economy and reduced waste. Modern catalytic systems, including palladium-catalyzed cross-coupling and microwave-assisted synthesis, are being employed to improve yield and purity. These advancements align with the growing demand for sustainable chemical processes in industrial applications.

Analytical characterization of Methyl 4-Chloropyrido[3,4-d]pyrimidine-2-carboxylate typically involves HPLC, NMR spectroscopy, and mass spectrometry to ensure batch-to-batch consistency. The compound's stability under various pH conditions and thermal profiles has been documented in recent ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) studies, addressing key questions from formulation scientists about its compatibility with drug delivery systems.

Emerging applications of this compound extend to material science, where its conjugated π-system shows promise in organic electronics. Researchers are investigating its potential as a fluorescent probe or photocatalyst, tapping into the current interest in functional materials for energy storage and conversion. This multidisciplinary relevance makes CAS 1220039-65-5 a compound of enduring scientific value.

From a commercial perspective, the global market for pyridopyrimidine derivatives is projected to grow at a CAGR of 6.2% (2023-2030), driven by their expanding therapeutic applications. Suppliers of Methyl 4-Chloropyrido[3,4-d]pyrimidine-2-carboxylate are increasingly adopting quality-by-design (QbD) principles to meet regulatory requirements from agencies like the FDA and EMA. These developments respond to frequent queries from procurement specialists about GMP-compliant synthesis and supply chain transparency.

Ongoing research continues to uncover novel reactivities of this scaffold, particularly in click chemistry and bioconjugation techniques. The compound's ability to undergo selective functionalization at multiple positions makes it valuable for creating targeted therapeutics – a hot topic in precision medicine. Recent patent filings indicate growing IP activity around 1220039-65-5 derivatives, suggesting its long-term commercial potential.

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