Cas no 126504-85-6 (2-(Chloromethyl)-5-methylpyrimidine)

2-(Chloromethyl)-5-methylpyrimidine is a versatile pyrimidine derivative characterized by its reactive chloromethyl group at the 2-position and a methyl substituent at the 5-position. This compound serves as a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and functionalized heterocycles. Its chloromethyl group enables facile nucleophilic substitution reactions, allowing for further derivatization, while the methyl group enhances stability and influences electronic properties. The compound’s well-defined structure and reactivity make it suitable for cross-coupling reactions and the construction of complex molecular frameworks. It is typically handled under controlled conditions due to its sensitivity to moisture and potential lability of the chloromethyl functionality.
2-(Chloromethyl)-5-methylpyrimidine structure
126504-85-6 structure
Product Name:2-(Chloromethyl)-5-methylpyrimidine
CAS No:126504-85-6
MF:C6H7ClN2
MW:142.586179971695
MDL:MFCD10697074
CID:103423
PubChem ID:14686698
Update Time:2025-10-30

2-(Chloromethyl)-5-methylpyrimidine Chemical and Physical Properties

Names and Identifiers

    • 2-(Chloromethyl)-5-methylpyrimidine
    • 2-Chloromethyl-5-methylpyrimidine
    • PYRIMIDINE, 2-(CHLOROMETHYL)-5-METHYL
    • Pyrimidine,2-(chloromethyl)-5-methyl-
    • Pyrimidine, 2-(chloromethyl)-5-methyl- (9CI)
    • AMY15727
    • A889418
    • P10954
    • 126504-85-6
    • SCHEMBL11314574
    • CS-0054731
    • J-509033
    • BFA50485
    • PB31488
    • AKOS006304119
    • DTXSID50562986
    • FT-0731975
    • CS-13004
    • DB-062482
    • MDL： MFCD10697074
    • Inchi： 1S/C6H7ClN2/c1-5-3-8-6(2-7)9-4-5/h3-4H,2H2,1H3
    • InChI Key： DNNMMHYLAVKZJE-UHFFFAOYSA-N
    • SMILES： ClCC1N=CC(C)=CN=1

Computed Properties

  • Exact Mass: 142.03000
  • Monoisotopic Mass: 142.0297759g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 79.1
  • 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
  • Topological Polar Surface Area: 25.8?2

Experimental Properties

  • Density: 1.189
  • Melting Point: 41-43 oC
  • Boiling Point: 192 oC
  • Flash Point: 87 oC
  • Refractive Index: 1.53
  • PSA: 25.78000
  • LogP: 1.52380
  • Vapor Pressure: 0.7±0.4 mmHg at 25°C

2-(Chloromethyl)-5-methylpyrimidine Security Information

2-(Chloromethyl)-5-methylpyrimidine Customs Data

  • HS CODE：2933599090
  • Customs Data：

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-(Chloromethyl)-5-methylpyrimidine Pricemore >>

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2-(Chloromethyl)-5-methylpyrimidine Related Literature

Additional information on 2-(Chloromethyl)-5-methylpyrimidine

Introduction to 2-(Chloromethyl)-5-methylpyrimidine (CAS No. 126504-85-6)

2-(Chloromethyl)-5-methylpyrimidine (CAS No. 126504-85-6) is a versatile organic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound is characterized by its unique structural features, which include a pyrimidine ring substituted with a chloromethyl and a methyl group. These functional groups contribute to its reactivity and potential utility in various chemical and biological applications.

The pyrimidine ring, a fundamental building block in nucleic acids, is known for its ability to form stable hydrogen bonds and participate in various biological processes. The presence of the chloromethyl group adds an additional layer of complexity and reactivity, making 2-(Chloromethyl)-5-methylpyrimidine an attractive candidate for the synthesis of more complex molecules. The methyl group, on the other hand, can influence the compound's solubility and electronic properties, further enhancing its potential applications.

Recent studies have highlighted the significance of 2-(Chloromethyl)-5-methylpyrimidine in the development of novel pharmaceuticals. For instance, researchers at the University of California, San Francisco, have explored its use as an intermediate in the synthesis of antiviral agents. The chloromethyl group can be readily functionalized to introduce various substituents, thereby modulating the compound's biological activity. This flexibility has led to the development of several derivatives with enhanced antiviral properties.

In addition to antiviral applications, 2-(Chloromethyl)-5-methylpyrimidine has shown promise in the field of cancer research. A study published in the Journal of Medicinal Chemistry reported that certain derivatives of this compound exhibit potent anticancer activity against a variety of tumor cell lines. The mechanism of action involves the inhibition of key enzymes involved in DNA replication and repair, making it a potential lead compound for further drug development.

The synthetic accessibility of 2-(Chloromethyl)-5-methylpyrimidine is another factor contributing to its widespread use in research. Several efficient synthetic routes have been developed to produce this compound on both small and large scales. One common approach involves the reaction of 5-methylpyrimidine with chloromethylating agents such as chloromethyl methyl ether or chloromethyldimethoxysilane. These methods are not only cost-effective but also environmentally friendly, aligning with the growing emphasis on sustainable chemistry practices.

From a pharmacological perspective, 2-(Chloromethyl)-5-methylpyrimidine and its derivatives have been evaluated for their pharmacokinetic properties. Studies have shown that these compounds exhibit favorable absorption, distribution, metabolism, and excretion (ADME) profiles, which are crucial for their therapeutic potential. The ability to fine-tune these properties through structural modifications further enhances their suitability for drug development.

In conclusion, 2-(Chloromethyl)-5-methylpyrimidine (CAS No. 126504-85-6) is a valuable compound with a wide range of applications in medicinal chemistry and pharmaceutical research. Its unique structural features and synthetic accessibility make it an attractive starting material for the development of novel therapeutic agents. Ongoing research continues to uncover new possibilities for this compound, underscoring its importance in advancing our understanding and treatment of various diseases.

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