Cas no 114108-86-0 (2-(chloromethyl)-4,6-dimethoxypyrimidine)

2-(Chloromethyl)-4,6-dimethoxypyrimidine is a versatile pyrimidine derivative widely used as a key intermediate in organic synthesis and pharmaceutical manufacturing. Its reactive chloromethyl group enables efficient functionalization, making it valuable for constructing complex molecular frameworks. The dimethoxy substituents enhance stability while maintaining reactivity in nucleophilic substitution reactions. This compound is particularly useful in the synthesis of agrochemicals, active pharmaceutical ingredients (APIs), and specialty chemicals. Its well-defined structure ensures consistent performance in multi-step synthetic routes. The product is typically supplied with high purity, ensuring reproducibility in research and industrial applications. Proper handling under inert conditions is recommended due to its moisture sensitivity.
2-(chloromethyl)-4,6-dimethoxypyrimidine structure
114108-86-0 structure
Product Name:2-(chloromethyl)-4,6-dimethoxypyrimidine
CAS No:114108-86-0
MF:C7H9ClN2O2
MW:188.611560583115
MDL:MFCD00274539
CID:63062
PubChem ID:10965279
Update Time:2025-06-07

2-(chloromethyl)-4,6-dimethoxypyrimidine Chemical and Physical Properties

Names and Identifiers

    • 2-Chloromethyl-4,6-dimethoxypyrimidine
    • 2-(CHLOROMETHYL)-4,6-DIMETHOXYPYRIMIDINE
    • 2-chloroMethyl-4,6-diMethoxylpyMidine
    • 2-(chloromethy)-4,6-dimethoxypyrimidine
    • 2-(Chloromethyl)-4,6-dimethoxy-1,3-diazine
    • PYRIMIDINE, 2-(CHLOROMETHYL)-4,6-DIMETHOXY
    • (4,6-DIMETHOXYPYRIMIDIN-2-YL)METHYL CHLORIDE
    • MFCD00274539
    • AB05878
    • SCHEMBL379405
    • J-509031
    • 2-Chloromethyl-4,6-dimethoxy-pyrimidine
    • 114108-86-0
    • DTXSID10450037
    • AKOS006229045
    • Pyrimidine, 2-(chloromethyl)-4,6-dimethoxy-
    • A2322
    • AC-26651
    • 2-(Chloromethyl)-4,6-dimethoxy
    • PS-11631
    • FT-0642780
    • BWCCPOQIMGGGQX-UHFFFAOYSA-N
    • AMY11040
    • 2-(chloromethyl)-4,6-dimethoxypyrimidine
    • MDL: MFCD00274539
    • Inchi: 1S/C7H9ClN2O2/c1-11-6-3-7(12-2)10-5(4-8)9-6/h3H,4H2,1-2H3
    • InChI Key: BWCCPOQIMGGGQX-UHFFFAOYSA-N
    • SMILES: ClCC1N=C(C=C(N=1)OC)OC

Computed Properties

  • Exact Mass: 188.03500
  • Monoisotopic Mass: 188.0352552g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 125
  • 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: 1.2
  • Topological Polar Surface Area: 44.2?2

Experimental Properties

  • Color/Form: White powder
  • Density: 1.244
  • Melting Point: 39-42
  • Boiling Point: 271°Cat760mmHg
  • Flash Point: 117.7°C
  • Refractive Index: 1.513
  • PSA: 44.24000
  • LogP: 1.23260

2-(chloromethyl)-4,6-dimethoxypyrimidine Security Information

2-(chloromethyl)-4,6-dimethoxypyrimidine Pricemore >>

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Additional information on 2-(chloromethyl)-4,6-dimethoxypyrimidine

Comprehensive Overview of 2-(Chloromethyl)-4,6-dimethoxypyrimidine (CAS No. 114108-86-0)

2-(Chloromethyl)-4,6-dimethoxypyrimidine (CAS No. 114108-86-0) is a versatile pyrimidine derivative widely utilized in pharmaceutical and agrochemical research. This compound, characterized by its chloromethyl and dimethoxy functional groups, serves as a critical intermediate in the synthesis of bioactive molecules. Its unique structural features make it invaluable for constructing complex heterocyclic frameworks, particularly in drug discovery and crop protection applications.

The growing demand for pyrimidine-based compounds in modern medicine has propelled interest in 2-(chloromethyl)-4,6-dimethoxypyrimidine. Researchers frequently explore its reactivity in nucleophilic substitution reactions, where the chloromethyl group acts as a reactive handle for further functionalization. Recent studies highlight its role in developing kinase inhibitors and antimicrobial agents, aligning with the pharmaceutical industry's focus on targeted therapies.

In agrochemical applications, this compound contributes to the synthesis of pyrimidine herbicides and plant growth regulators. Its dimethoxy substitution pattern enhances stability under environmental conditions, a key consideration for formulation scientists. With increasing global attention on sustainable agriculture, 114108-86-0 has gained prominence in developing next-generation crop protection products with improved selectivity and reduced ecological impact.

From a synthetic chemistry perspective, 2-(chloromethyl)-4,6-dimethoxypyrimidine offers distinct advantages in heterocyclic construction. The electron-donating methoxy groups influence the pyrimidine ring's electronic properties, enabling selective modifications at specific positions. This characteristic makes it particularly valuable for parallel synthesis approaches in combinatorial chemistry, addressing the pharmaceutical industry's need for diverse compound libraries.

Quality control of CAS 114108-86-0 typically involves advanced analytical techniques including HPLC purity analysis, NMR spectroscopy, and mass spectrometry. The compound's stability profile has been extensively studied, with research indicating optimal storage conditions under inert atmosphere at low temperatures. These findings are crucial for manufacturers and researchers handling this intermediate in multi-step synthetic routes.

Recent patent literature reveals innovative applications of 2-(chloromethyl)-4,6-dimethoxypyrimidine in material science, particularly in the development of organic electronic materials. Its ability to form stable coordination complexes with transition metals has opened new possibilities in catalyst design and molecular electronics. This expansion beyond traditional applications demonstrates the compound's growing importance in cutting-edge technological developments.

Environmental and safety assessments of 114108-86-0 indicate proper handling protocols for laboratory use. While not classified as hazardous under standard conditions, appropriate precautions should be taken during manipulation due to its reactive chloromethyl functionality. These considerations are particularly relevant for process chemists scaling up synthetic procedures involving this intermediate.

The global market for pyrimidine derivatives continues to grow, with 2-(chloromethyl)-4,6-dimethoxypyrimidine maintaining steady demand across research and industrial sectors. Supply chain analyses show increasing production capacity in major chemical manufacturing regions, ensuring stable availability for diverse applications. This trend reflects the compound's established position in synthetic organic chemistry.

Future research directions for CAS 114108-86-0 may explore its potential in bioconjugation chemistry and prodrug development, areas gaining significant attention in medicinal chemistry. The compound's balanced lipophilicity, as determined by its dimethoxypyrimidine core, makes it particularly interesting for drug delivery system design. Such applications could further expand its utility in pharmaceutical development.

In conclusion, 2-(chloromethyl)-4,6-dimethoxypyrimidine represents a strategically important building block with multifaceted applications. Its combination of synthetic versatility and structural features ensures continued relevance across chemical disciplines. As research into functionalized pyrimidines advances, this compound will likely maintain its status as a valuable tool for molecular innovation.

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