Cas no 1337879-54-5 (5-(Chloromethyl)pyrimidine hydrochloride)

5-(Chloromethyl)pyrimidine hydrochloride is a versatile heterocyclic building block widely used in pharmaceutical and agrochemical synthesis. Its reactive chloromethyl group enables efficient functionalization, making it valuable for constructing pyrimidine-based scaffolds. The hydrochloride salt enhances stability and solubility, facilitating handling in organic reactions. This compound is particularly useful in nucleophilic substitution reactions, where it serves as an intermediate for introducing pyrimidine moieties into more complex structures. Its high purity and consistent reactivity ensure reliable performance in multi-step syntheses. Suitable for applications in medicinal chemistry and material science, 5-(Chloromethyl)pyrimidine hydrochloride offers a practical route to diverse derivatives, supporting research and industrial-scale production.
5-(Chloromethyl)pyrimidine hydrochloride structure
1337879-54-5 structure
Product Name:5-(Chloromethyl)pyrimidine hydrochloride
CAS No:1337879-54-5
MF:C5H6Cl2N2
MW:165.020538806915
MDL:MFCD19982294
CID:2093577
PubChem ID:57415795
Update Time:2025-11-02

5-(Chloromethyl)pyrimidine hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 5-(Chloromethyl)pyrimidine hydrochloride
    • 5-(Chloromethyl)-2-methylpyrimidine hydrochloride
    • 5-(Chloromethyl)pyrimidine HCl
    • PB31962
    • 5-ChloroMethyl-pyriMidine hydrochloride
    • AB0091568
    • ST1141030
    • 5-CHLOROMETHYLPYRIMIDINE HYDROCHLORIDE
    • 5-(CHLOROMETHYL)PYRIMIDINEHYDROCHLORIDE
    • SCHEMBL17541768
    • AS-33433
    • 1337879-54-5
    • 5-(chloromethyl)pyrimidine;hydrochloride
    • MFCD19982294
    • DB-085062
    • AKOS016015566
    • CS-0050758
    • EN300-224627
    • SY035908
    • Pyrimidine, 5-(chloromethyl)-, hydrochloride
    • 825-057-6
    • MDL: MFCD19982294
    • Inchi: 1S/C5H5ClN2.ClH/c6-1-5-2-7-4-8-3-5;/h2-4H,1H2;1H
    • InChI Key: QXJVZEHGCCFJPZ-UHFFFAOYSA-N
    • SMILES: ClCC1=CN=CN=C1.Cl

Computed Properties

  • Exact Mass: 163.9908036g/mol
  • Monoisotopic Mass: 163.9908036g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 61.4
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 25.8

5-(Chloromethyl)pyrimidine hydrochloride Pricemore >>

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Additional information on 5-(Chloromethyl)pyrimidine hydrochloride

5-(Chloromethyl)pyrimidine hydrochloride (CAS 1337879-54-5): A Versatile Building Block in Pharmaceutical and Chemical Synthesis

In the realm of organic synthesis and pharmaceutical development, 5-(Chloromethyl)pyrimidine hydrochloride (CAS 1337879-54-5) has emerged as a crucial intermediate compound. This white to off-white crystalline powder, with its molecular formula C5H6ClN2·HCl and molecular weight of 165.03 g/mol, plays a pivotal role in the construction of more complex molecular architectures. The presence of both pyrimidine ring and reactive chloromethyl group makes this compound particularly valuable for nucleophilic substitution reactions, which are fundamental in modern drug discovery processes.

The growing interest in 5-(Chloromethyl)pyrimidine HCl reflects broader trends in medicinal chemistry, where researchers are increasingly focusing on pyrimidine derivatives as privileged scaffolds. Recent studies highlight how such compounds serve as key precursors for antiviral agents, kinase inhibitors, and other therapeutic molecules. With the pharmaceutical industry's continuous search for novel bioactive compounds, the demand for high-quality 5-(Chloromethyl)pyrimidine hydrochloride has seen steady growth, particularly in research laboratories and contract manufacturing organizations.

From a chemical perspective, 5-(Chloromethyl)pyrimidine hydrochloride offers several advantages. The pyrimidine core provides excellent hydrogen bonding capabilities and π-stacking interactions, while the chloromethyl group serves as an excellent leaving group for subsequent functionalization. This dual functionality explains why many researchers consider CAS 1337879-54-5 as a "molecular Lego block" for constructing more complex heterocyclic systems. The hydrochloride salt form enhances the compound's stability and solubility in various reaction media, making it particularly suitable for diverse synthetic applications.

The synthesis and applications of 5-(Chloromethyl)pyrimidine HCl have gained attention in several cutting-edge research areas. In drug discovery, this compound serves as a precursor for developing potential treatments targeting various diseases. The COVID-19 pandemic has particularly highlighted the importance of pyrimidine-based compounds in antiviral research, with many research groups exploring derivatives of 5-(Chloromethyl)pyrimidine as potential therapeutic agents. Additionally, the compound finds use in materials science, where researchers incorporate pyrimidine derivatives into novel polymers and functional materials.

Quality control and characterization of 5-(Chloromethyl)pyrimidine hydrochloride involve several analytical techniques. High-performance liquid chromatography (HPLC) typically shows purity levels exceeding 97%, while nuclear magnetic resonance (NMR) spectroscopy confirms the molecular structure. The compound generally appears as a white crystalline powder with good stability under recommended storage conditions (typically 2-8°C in a dry environment). These quality parameters are particularly important for pharmaceutical applications where consistency and purity are paramount.

Recent advancements in synthetic methodologies have improved the accessibility of CAS 1337879-54-5. Modern green chemistry approaches aim to optimize the synthesis of 5-(Chloromethyl)pyrimidine hydrochloride by reducing hazardous byproducts and improving atom economy. These developments align with the pharmaceutical industry's growing emphasis on sustainable chemistry practices. Researchers are particularly interested in catalytic methods that can introduce the chloromethyl group more efficiently while maintaining high regioselectivity on the pyrimidine ring.

The commercial availability of 5-(Chloromethyl)pyrimidine HCl has expanded significantly in recent years. Several specialty chemical suppliers now offer this compound in various quantities, from milligram-scale for research purposes to kilogram quantities for process development. Pricing varies depending on purity grade and order volume, with current market trends showing stable demand. The compound's Material Safety Data Sheet (MSDS) provides essential handling information, emphasizing standard laboratory precautions for safe use.

Looking toward future applications, 5-(Chloromethyl)pyrimidine hydrochloride continues to attract research interest. Its potential in developing novel kinase inhibitors represents a particularly promising direction, given the importance of these targets in cancer therapy. Additionally, the compound's utility in creating molecular probes for biological studies underscores its value in chemical biology research. As synthetic methodologies advance and new therapeutic targets emerge, the role of CAS 1337879-54-5 in medicinal chemistry is likely to expand further.

For researchers working with 5-(Chloromethyl)pyrimidine HCl, proper handling and storage are essential for maintaining compound integrity. While not classified as highly hazardous, standard precautions for handling chemical substances should be followed. The hydrochloride salt form offers improved handling characteristics compared to free base forms of similar compounds. Storage in airtight containers under cool, dry conditions typically ensures long-term stability, making 5-(Chloromethyl)pyrimidine hydrochloride a practical choice for various synthetic applications.

In conclusion, 5-(Chloromethyl)pyrimidine hydrochloride (CAS 1337879-54-5) represents a valuable tool in modern chemical synthesis, particularly in pharmaceutical research. Its unique combination of pyrimidine aromaticity and reactive chloromethyl functionality enables diverse chemical transformations. As the search for novel bioactive compounds continues, the importance of such versatile building blocks will only grow. With ongoing developments in synthetic chemistry and drug discovery, 5-(Chloromethyl)pyrimidine HCl is poised to remain a compound of significant interest to researchers across multiple disciplines.

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