Cas no 77166-01-9 (4-Methyl-2-(methylsulfonyl)pyrimidine)

4-Methyl-2-(methylsulfonyl)pyrimidine is a pyrimidine derivative characterized by a methylsulfonyl substituent at the 2-position and a methyl group at the 4-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The methylsulfonyl group enhances reactivity, making it valuable for nucleophilic substitution reactions, while the methyl substitution influences electronic and steric properties. Its stable crystalline form ensures ease of handling and storage. The compound’s structural features contribute to its utility in constructing heterocyclic frameworks, offering precise control in synthetic pathways. High purity and well-defined chemical properties make it a reliable choice for research and industrial applications.
4-Methyl-2-(methylsulfonyl)pyrimidine structure
77166-01-9 structure
Product Name:4-Methyl-2-(methylsulfonyl)pyrimidine
CAS No:77166-01-9
MF:C6H8N2O2S
MW:172.204919815063
MDL:MFCD03990465
CID:549096
PubChem ID:2772379
Update Time:2025-05-24

4-Methyl-2-(methylsulfonyl)pyrimidine Chemical and Physical Properties

Names and Identifiers

    • 4-Methyl-2-(methylsulfonyl)pyrimidine
    • 2-METHANESULFONYL-4-METHYL-PYRIMIDINE
    • 4-Methyl-2-methylsulfonylpyrimidine
    • Pyrimidine,4-methyl-2-(methylsulfonyl)-
    • 2-methanesulfonyl-4-methylpyrimidine
    • LWSFXJZBVVGVIO-UHFFFAOYSA-N
    • STK005251
    • FCH848465
    • 2-(Methylsulfonyl)-4-methylpyrimidine
    • AK122307
    • HC210575
    • AX8076290
    • Z2412
    • C76468
    • SCHEMBL4138614
    • AS-63101
    • CS-0129383
    • A917321
    • FT-0687947
    • SY069163
    • 2-methaneanesulfonyl-4-methylpyrimidine
    • AKOS005264522
    • MFCD03990465
    • 77166-01-9
    • DTXSID90378240
    • Pyrimidine, 4-methyl-2-(methylsulfonyl)-
    • MDL: MFCD03990465
    • Inchi: 1S/C6H8N2O2S/c1-5-3-4-7-6(8-5)11(2,9)10/h3-4H,1-2H3
    • InChI Key: LWSFXJZBVVGVIO-UHFFFAOYSA-N
    • SMILES: S(C)(C1N=CC=C(C)N=1)(=O)=O

Computed Properties

  • Exact Mass: 172.03100
  • Monoisotopic Mass: 172.03064868g/mol
  • Isotope Atom Count: nothing
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 219
  • Covalently-Bonded Unit Count: nothing
  • Defined Atom Stereocenter Count: nothing
  • Undefined Atom Stereocenter Count : nothing
  • Defined Bond Stereocenter Count: nothing
  • Undefined Bond Stereocenter Count: nothing
  • Topological Polar Surface Area: 68.3
  • Surface Charge: nothing
  • Tautomer Count: nothing
  • XLogP3: nothing

Experimental Properties

  • Density: 1.285
  • Boiling Point: 346.9°C at 760 mmHg
  • Flash Point: 163.6 °C
  • PSA: 68.30000
  • LogP: 1.26930

4-Methyl-2-(methylsulfonyl)pyrimidine Security Information

4-Methyl-2-(methylsulfonyl)pyrimidine 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%

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Additional information on 4-Methyl-2-(methylsulfonyl)pyrimidine

4-Methyl-2-(methylsulfonyl)pyrimidine: A Comprehensive Overview

4-Methyl-2-(methylsulfonyl)pyrimidine, also known by its CAS number CAS No. 77166-61-9, is a heterocyclic organic compound with significant potential in various chemical and pharmaceutical applications. This compound belongs to the pyrimidine family, which is a class of six-membered aromatic rings containing two nitrogen atoms at positions 1 and 3. The presence of a methyl group at position 4 and a methylsulfonyl group at position 2 imparts unique chemical properties to this molecule, making it a subject of interest in both academic and industrial research.

The structure of 4-Methyl-2-(methylsulfonyl)pyrimidine is characterized by its planar geometry, which facilitates strong conjugation within the ring system. This conjugation not only enhances the stability of the molecule but also contributes to its electronic properties, making it a promising candidate for use in electronic materials and sensors. Recent studies have explored the potential of this compound in organic electronics, particularly in the development of field-effect transistors (FETs) and light-emitting diodes (LEDs). For instance, researchers have reported that the incorporation of 4-Methyl-2-(methylsulfonyl)pyrimidine into polymer blends can significantly improve charge transport properties, leading to enhanced device performance.

In addition to its electronic applications, 4-Methyl-2-(methylsulfonyl)pyrimidine has garnered attention in the pharmaceutical industry due to its potential as a drug candidate. The methylsulfonyl group attached to the pyrimidine ring introduces a sulfonamide functionality, which is known for its ability to modulate biological activities. Recent investigations have focused on the compound's role as a kinase inhibitor, with promising results in preclinical models of cancer. For example, studies have demonstrated that 4-Methyl-2-(methylsulfonyl)pyrimidine can selectively inhibit certain protein kinases involved in cell proliferation and survival pathways, thereby inducing apoptosis in cancer cells.

The synthesis of 4-Methyl-2-(methylsulfonyl)pyrimidine typically involves multi-step organic reactions, including nucleophilic substitution and cyclization processes. Researchers have optimized these synthetic routes to achieve high yields and purity levels, ensuring scalability for industrial production. Moreover, green chemistry principles have been integrated into these processes to minimize environmental impact. For instance, solvent-free reactions and catalytic systems have been employed to reduce waste generation during the synthesis of this compound.

Beyond its direct applications as a chemical entity, 4-Methyl-2-(methylsulfonyl)pyrimidine serves as a valuable building block for constructing more complex molecular architectures. Its versatility allows chemists to functionalize the molecule further by introducing additional substituents at various positions on the pyrimidine ring. This modular approach has facilitated the development of libraries of related compounds for high-throughput screening in drug discovery programs.

In conclusion, 4-Methyl-2-(methylsulfonyl)pyrimidine, with its unique structural features and diverse functional groups, represents a valuable compound with wide-ranging applications across multiple disciplines. From organic electronics to pharmaceutical research, this compound continues to be a focal point for innovation and discovery. As advancements in synthetic methods and biological assays continue to evolve, it is anticipated that CAS No. 77166-61-9 will play an increasingly important role in shaping future technologies and therapeutic interventions.

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