Cas no 1192479-35-8 (2-Chloro-5-fluoro-4-methoxy-6-methylpyrimidine)

2-Chloro-5-fluoro-4-methoxy-6-methylpyrimidine is a fluorinated and methoxylated pyrimidine derivative with significant utility in pharmaceutical and agrochemical synthesis. Its structural features, including the chloro and fluoro substituents, enhance reactivity, making it a versatile intermediate for nucleophilic substitution and cross-coupling reactions. The methoxy group contributes to stability and modulates electronic properties, while the methyl group at the 6-position offers steric control. This compound is particularly valuable in the development of active pharmaceutical ingredients (APIs) and specialty chemicals, where precise functionalization is critical. Its high purity and well-defined reactivity profile ensure consistent performance in complex synthetic pathways.
2-Chloro-5-fluoro-4-methoxy-6-methylpyrimidine structure
1192479-35-8 structure
Product Name:2-Chloro-5-fluoro-4-methoxy-6-methylpyrimidine
CAS No:1192479-35-8
MF:C6H6ClFN2O
MW:176.576043605804
MDL:MFCD16621230
CID:1095642
PubChem ID:58252332
Update Time:2025-06-08

2-Chloro-5-fluoro-4-methoxy-6-methylpyrimidine Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-5-fluoro-4-methoxy-6-methyl-pyrimidine
    • 2-chloro-5-fluoro-4-methoxy-6-methylpyrimidine
    • C6H6ClFN2O
    • RWISDMQZKZXBIK-UHFFFAOYSA-N
    • NE54696
    • AK151406
    • Pyrimidine, 2-chloro-5-fluoro-4-methoxy-6-methyl-
    • SCHEMBL12599922
    • DTXSID00729007
    • CS-0045722
    • MFCD16621230
    • AKOS024258697
    • DS-9487
    • 1192479-35-8
    • SB57421
    • DA-14716
    • EN300-157340
    • AMY16148
    • 2-Chloro-5-fluoro-4-methoxy-6-methylpyrimidine
    • MDL: MFCD16621230
    • Inchi: 1S/C6H6ClFN2O/c1-3-4(8)5(11-2)10-6(7)9-3/h1-2H3
    • InChI Key: RWISDMQZKZXBIK-UHFFFAOYSA-N
    • SMILES: ClC1=NC(=C(C(C)=N1)F)OC

Computed Properties

  • Exact Mass: 176.0152687g/mol
  • Monoisotopic Mass: 176.0152687g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 138
  • 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
  • Topological Polar Surface Area: 35
  • XLogP3: 2

2-Chloro-5-fluoro-4-methoxy-6-methylpyrimidine Pricemore >>

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Additional information on 2-Chloro-5-fluoro-4-methoxy-6-methylpyrimidine

Comprehensive Overview of 2-Chloro-5-fluoro-4-methoxy-6-methylpyrimidine (CAS No. 1192479-35-8)

2-Chloro-5-fluoro-4-methoxy-6-methylpyrimidine (CAS No. 1192479-35-8) is a highly specialized pyrimidine derivative that has garnered significant attention in pharmaceutical and agrochemical research. This compound, characterized by its unique halogen-substituted pyrimidine structure, serves as a critical intermediate in the synthesis of advanced molecules. Its molecular formula, C6H6ClFN2O, reflects a balanced combination of reactivity and stability, making it invaluable for drug discovery and crop protection applications.

In recent years, the demand for fluorinated pyrimidines has surged due to their enhanced bioavailability and metabolic stability. Researchers frequently search for terms like "pyrimidine derivatives in drug development" or "fluoro-substituted heterocycles", highlighting the growing interest in this chemical space. The presence of both chloro and fluoro substituents in 2-Chloro-5-fluoro-4-methoxy-6-methylpyrimidine enables selective functionalization, a feature highly sought after in medicinal chemistry.

The compound's methoxy group at the 4-position further enhances its versatility, allowing for diverse synthetic transformations. This attribute aligns with trending topics such as "green chemistry approaches to heterocyclic synthesis" and "sustainable pharmaceutical intermediates". Laboratories worldwide prioritize this molecule for its compatibility with modern catalytic cross-coupling reactions, a frequently searched topic in organic chemistry forums.

From an industrial perspective, CAS 1192479-35-8 addresses key challenges in process optimization and scale-up production. Quality control parameters such as HPLC purity and residual solvent levels remain critical discussion points among manufacturers. The compound's stability under various storage conditions makes it a reliable choice for long-term research projects, answering common queries about "stable pyrimidine building blocks".

Emerging applications in bioconjugation chemistry have further expanded the utility of this pyrimidine derivative. Its reactivity profile enables efficient nucleophilic aromatic substitution (SNAr) reactions, a subject of numerous academic publications. The scientific community actively investigates its potential in creating targeted therapeutics, particularly in oncology research where fluorinated scaffolds show remarkable promise.

Regulatory compliance represents another crucial aspect of 2-Chloro-5-fluoro-4-methoxy-6-methylpyrimidine usage. While not classified as hazardous under standard protocols, proper handling procedures remain essential. This aligns with industry searches for "safe handling of halogenated compounds" and "laboratory best practices for pyrimidine derivatives". The compound's well-documented safety profile contributes to its widespread adoption in research settings.

The synthesis of 1192479-35-8 typically involves multi-step organic transformations with careful control of reaction parameters. Process chemists frequently discuss optimization strategies for improving yield and purity, reflecting common search queries about "efficient pyrimidine synthesis methods". Recent advances in flow chemistry have opened new possibilities for manufacturing this intermediate at commercial scales.

Analytical characterization of 2-Chloro-5-fluoro-4-methoxy-6-methylpyrimidine employs standard techniques including NMR spectroscopy, mass spectrometry, and X-ray crystallography. These methods verify structural integrity and confirm the absence of isomeric impurities, addressing quality concerns frequently raised in pharmaceutical ingredient sourcing discussions.

Looking ahead, the compound's potential in material science applications is gaining recognition. Its ability to serve as a building block for functionalized polymers and advanced materials responds to growing interest in "smart material development". This expansion beyond traditional applications demonstrates the molecule's adaptability to evolving scientific needs.

For researchers investigating structure-activity relationships (SAR), 2-Chloro-5-fluoro-4-methoxy-6-methylpyrimidine offers valuable insights into how subtle modifications affect biological activity. This connects with popular searches about "molecular optimization strategies" and "rational drug design principles". The compound's well-defined chemical behavior makes it an excellent model system for methodological studies.

In conclusion, CAS 1192479-35-8 represents a multifaceted tool for modern chemical research. Its combination of synthetic accessibility, structural features, and application diversity ensures its continued relevance across multiple scientific disciplines. As innovation in heterocyclic chemistry progresses, this pyrimidine derivative will undoubtedly remain at the forefront of cutting-edge research and development.

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