Cas no 1234616-61-5 (2-Chloropyrido[3,4-d]pyrimidine)

2-Chloropyrido[3,4-d]pyrimidine is a heterocyclic compound featuring a chlorinated pyridopyrimidine core, which serves as a versatile intermediate in organic synthesis. Its reactive chlorine atom at the 2-position enables efficient functionalization through nucleophilic substitution, making it valuable for constructing complex pharmaceutical and agrochemical scaffolds. The fused pyrido-pyrimidine structure contributes to its utility in medicinal chemistry, particularly in the development of kinase inhibitors and other biologically active molecules. This compound exhibits high purity and stability under standard handling conditions, ensuring reliable performance in cross-coupling reactions and other synthetic transformations. Its well-defined reactivity profile makes it a preferred choice for researchers working on nitrogen-rich heterocyclic systems.
2-Chloropyrido[3,4-d]pyrimidine structure
1234616-61-5 structure
Product Name:2-Chloropyrido[3,4-d]pyrimidine
CAS No:1234616-61-5
MF:C7H4ClN3
MW:165.579759597778
MDL:MFCD17015893
CID:2190406
PubChem ID:54479374
Update Time:2025-05-19

2-Chloropyrido[3,4-d]pyrimidine Chemical and Physical Properties

Names and Identifiers

    • 2-Chloropyrido[3,4-d]pyrimidine
    • DB-303329
    • 1234616-61-5
    • SCHEMBL15515086
    • PB11204
    • MDL: MFCD17015893
    • Inchi: 1S/C7H4ClN3/c8-7-10-3-5-1-2-9-4-6(5)11-7/h1-4H
    • InChI Key: XNXIKSZFEGISMW-UHFFFAOYSA-N
    • SMILES: ClC1=NC=C2C=CN=CC2=N1

Computed Properties

  • Exact Mass: 165.0093748Da
  • Monoisotopic Mass: 165.0093748Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 142
  • 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: 1.4
  • Topological Polar Surface Area: 38.7?2

2-Chloropyrido[3,4-d]pyrimidine Pricemore >>

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Additional information on 2-Chloropyrido[3,4-d]pyrimidine

Comprehensive Overview of 2-Chloropyrido[3,4-d]pyrimidine (CAS No. 1234616-61-5): Properties, Applications, and Industry Insights

2-Chloropyrido[3,4-d]pyrimidine (CAS No. 1234616-61-5) is a heterocyclic organic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its versatile structural framework. This chlorinated pyridopyrimidine derivative serves as a critical intermediate in the synthesis of bioactive molecules, particularly in drug discovery programs targeting kinase inhibitors and antimicrobial agents. Its molecular formula, C7H4ClN3, highlights a unique combination of nitrogen-rich aromatic systems with a reactive chlorine substituent, enabling diverse functionalization pathways.

In recent years, the demand for 2-Chloropyrido[3,4-d]pyrimidine has surged alongside advancements in small-molecule therapeutics and precision agriculture. Researchers frequently search for "2-Chloropyrido[3,4-d]pyrimidine synthesis" or "CAS 1234616-61-5 suppliers," reflecting its commercial and academic relevance. The compound’s pyrido[3,4-d]pyrimidine core is structurally analogous to purine bases, making it a privileged scaffold in designing ATP-competitive inhibitors for cancer and inflammatory diseases. Notably, its derivatives have shown promise in modulating protein kinases, a hot topic in targeted cancer therapy.

The physicochemical properties of 2-Chloropyrido[3,4-d]pyrimidine include a moderate melting point (typically 180–200°C) and limited solubility in water but excellent solubility in polar organic solvents like DMSO or DMF. These traits facilitate its use in cross-coupling reactions, such as Suzuki-Miyaura or Buchwald-Hartwig couplings, which are pivotal for constructing complex pharmaceutical intermediates. Industry trends indicate growing interest in "green chemistry approaches" for its synthesis, aligning with global sustainability goals.

From an application standpoint, 2-Chloropyrido[3,4-d]pyrimidine is integral to developing next-generation fungicides and herbicides, addressing food security challenges. Its role in crop protection formulations resonates with searches like "pyridopyrimidine agrochemicals." Additionally, the compound’s potential in central nervous system (CNS) drug discovery is being explored, particularly for neurodegenerative disorders—a trending topic in biomedical research.

Quality control of CAS 1234616-61-5 involves rigorous HPLC or GC analysis to ensure ≥98% purity, a key concern for contract research organizations (CROs). Regulatory compliance, such as REACH and FDA guidelines, further underscores its safe handling in industrial settings. As the fine chemicals market expands, innovations in continuous flow chemistry for scalable production of 2-Chloropyrido[3,4-d]pyrimidine are gaining traction, reducing costs and environmental impact.

In summary, 2-Chloropyrido[3,4-d]pyrimidine (CAS No. 1234616-61-5) exemplifies the intersection of medicinal chemistry and material science. Its adaptability in structure-activity relationship (SAR) studies and alignment with industry 4.0 automation in chemical manufacturing positions it as a compound of enduring scientific and commercial value.

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