Cas no 139296-65-4 (4-chloro-6-propylpyrimidin-2-amine)

4-Chloro-6-propylpyrimidin-2-amine is a substituted pyrimidine derivative with a chloro group at the 4-position and a propyl substituent at the 6-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its reactive chloro group enables further functionalization through nucleophilic substitution, while the amine moiety offers opportunities for derivatization. The propyl side chain enhances lipophilicity, which can influence solubility and bioavailability in drug design. This scaffold is valuable for constructing heterocyclic compounds with potential biological activity. It is typically handled under controlled conditions due to its reactivity and should be stored in a cool, dry environment.
4-chloro-6-propylpyrimidin-2-amine structure
139296-65-4 structure
Product Name:4-chloro-6-propylpyrimidin-2-amine
CAS No:139296-65-4
MF:C7H10ClN3
MW:171.627399921417
CID:1276150
PubChem ID:21846377
Update Time:2025-05-21

4-chloro-6-propylpyrimidin-2-amine Chemical and Physical Properties

Names and Identifiers

    • 2-Pyrimidinamine, 4-chloro-6-propyl-
    • 4-chloro-6-propylpyrimidin-2-amine
    • SB56125
    • 139296-65-4
    • AKOS002675899
    • SCHEMBL5745860
    • F2158-2305
    • EN300-362437
    • Inchi: 1S/C7H10ClN3/c1-2-3-5-4-6(8)11-7(9)10-5/h4H,2-3H2,1H3,(H2,9,10,11)
    • InChI Key: LAMDKQQOSGMNSB-UHFFFAOYSA-N
    • SMILES: ClC1=CC(CCC)=NC(N)=N1

Computed Properties

  • Exact Mass: 171.0565
  • Monoisotopic Mass: 171.0563250g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 120
  • 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: 2
  • Topological Polar Surface Area: 51.8?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 328.8±34.0 °C at 760 mmHg
  • Flash Point: 152.6±25.7 °C
  • PSA: 51.8
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

4-chloro-6-propylpyrimidin-2-amine Security Information

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Additional information on 4-chloro-6-propylpyrimidin-2-amine

4-Chloro-6-propylpyrimidin-2-amine (CAS No. 139296-65-4): Properties, Applications, and Market Insights

4-Chloro-6-propylpyrimidin-2-amine (CAS No. 139296-65-4) is a specialized pyrimidine derivative with significant potential in pharmaceutical and agrochemical research. This compound, characterized by its chloro and propyl functional groups, has garnered attention for its unique chemical properties and versatile applications. In this comprehensive overview, we delve into the molecular structure, synthesis methods, industrial uses, and emerging trends surrounding this compound.

The molecular formula of 4-chloro-6-propylpyrimidin-2-amine is C7H10ClN3, with a molecular weight of 171.63 g/mol. Its structure features a pyrimidine core substituted at the 2-position with an amino group, at the 4-position with chlorine, and at the 6-position with a propyl chain. This specific arrangement contributes to its reactivity and makes it valuable as a building block in medicinal chemistry. Researchers often explore pyrimidine derivatives like this compound for their potential biological activities, particularly in drug discovery programs targeting various therapeutic areas.

Recent scientific literature highlights the growing interest in 4-chloro-6-propylpyrimidin-2-amine synthesis and its derivatives. The compound serves as a key intermediate in the development of novel pharmaceutical agents, especially in the design of kinase inhibitors and antimicrobial compounds. Its structural features allow for further functionalization, making it a versatile scaffold in combinatorial chemistry. The presence of both electron-withdrawing (chloro) and electron-donating (amino) groups creates interesting electronic properties that influence its reactivity in various chemical transformations.

In the agrochemical sector, 4-chloro-6-propylpyrimidin-2-amine applications are being explored for the development of new crop protection agents. Pyrimidine-based compounds have demonstrated effectiveness as fungicides and herbicides, and researchers are investigating whether this particular derivative could contribute to next-generation agricultural solutions. The compound's potential lies in its ability to interfere with essential metabolic pathways in target organisms while maintaining favorable environmental profiles.

The global market for specialty pyrimidine compounds like 4-chloro-6-propylpyrimidin-2-amine is experiencing steady growth, driven by increasing demand from the pharmaceutical and agricultural sectors. Market analysts project a compound annual growth rate (CAGR) of 5-7% for similar intermediates over the next five years. This growth is particularly notable in emerging economies where local pharmaceutical production is expanding. Companies specializing in fine chemicals are investing in improved synthesis methods to meet the rising demand for high-purity pyrimidine derivatives.

Quality control and analytical characterization of 4-chloro-6-propylpyrimidin-2-amine are critical aspects of its production and application. Advanced techniques such as HPLC, GC-MS, and NMR spectroscopy are routinely employed to verify the compound's purity and structural integrity. The typical purity specification for research-grade material is ≥97%, with some applications requiring ≥99% purity. Proper storage conditions (typically 2-8°C in a dry environment) are essential to maintain the compound's stability over time.

From a regulatory perspective, 4-chloro-6-propylpyrimidin-2-amine is not currently listed on major controlled substance inventories, but manufacturers and researchers should always consult local regulations before handling or transporting the compound. Safety data sheets recommend standard laboratory precautions when working with this material, including the use of personal protective equipment and adequate ventilation. The compound's environmental fate and toxicity profile are subjects of ongoing research as part of responsible chemical development practices.

The scientific community continues to explore new 4-chloro-6-propylpyrimidin-2-amine derivatives with enhanced properties. Recent publications describe innovative synthetic routes that improve yield and reduce byproduct formation. Green chemistry approaches, including catalytic methods and solvent optimization, are being applied to make the production process more sustainable. These advancements align with the pharmaceutical industry's growing emphasis on environmentally friendly synthesis methods.

Looking ahead, the potential applications of 4-chloro-6-propylpyrimidin-2-amine may expand into new areas such as materials science and specialty coatings. The compound's molecular structure suggests possible utility in the development of organic electronic materials or as a ligand in coordination chemistry. As research into functional pyrimidines progresses, this compound may find unexpected roles in cutting-edge technologies.

For researchers seeking 4-chloro-6-propylpyrimidin-2-amine suppliers, it's important to verify the technical specifications and documentation provided by manufacturers. Reputable suppliers typically offer certificates of analysis, material safety data sheets, and technical support for application development. The compound is generally available in gram to kilogram quantities for research purposes, with some suppliers offering custom synthesis services for larger-scale requirements.

In conclusion, 4-chloro-6-propylpyrimidin-2-amine (CAS No. 139296-65-4) represents an important building block in modern chemical research with diverse potential applications. Its unique structural features continue to inspire innovation across multiple scientific disciplines. As synthetic methodologies advance and new biological targets are identified, this compound and its derivatives are likely to play an increasingly significant role in the development of novel therapeutic agents and specialty chemicals.

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