Cas no 262353-35-5 (2-Iodo-4-methoxypyrimidine)

2-Iodo-4-methoxypyrimidine is a versatile heterocyclic compound with significant potential in organic synthesis. It features a methoxy group at the 4-position and an iodo substituent at the 2-position, which can be easily utilized in various chemical transformations. This compound offers high purity and stability, making it ideal for research applications in medicinal chemistry and drug discovery.
2-Iodo-4-methoxypyrimidine structure
2-Iodo-4-methoxypyrimidine structure
Product Name:2-Iodo-4-methoxypyrimidine
CAS No:262353-35-5
MF:C5H5IN2O
MW:236.010473012924
MDL:MFCD08275719
CID:247474
PubChem ID:11806622
Update Time:2025-08-02

2-Iodo-4-methoxypyrimidine Chemical and Physical Properties

Names and Identifiers

    • 2-Iodo-4-methoxypyrimidine
    • PYRIMIDINE, 2-IODO-4-METHOXY- (9CI)
    • Pyrimidine,2-iodo-4-methoxy-
    • 2-iodanyl-4-methoxy-pyrimidine
    • 2-iodo-4-methoxy-pyrimidine
    • 2-Iodo-4-methyoxypyrimidine
    • Pyrimidine, 2-iodo-4-methoxy-
    • HJMVIKKKZCNEGZ-UHFFFAOYSA-N
    • SBB098498
    • VP50133
    • FCH1323989
    • RP28203
    • HP21537
    • EN000154
    • AX8149834
    • ST2410052
    • AB0023826
    • W4966
    • A818336
    • AKOS015852210
    • 262353-35-5
    • SCHEMBL2120022
    • ZB0614
    • DTXSID00473179
    • SB60667
    • MFCD08275719
    • DS-10311
    • Pyrimidine,2-iodo-4-methoxy-(9ci)
    • SY109839
    • FT-0645573
    • J-509709
    • AMY145
    • FT-0657197
    • DB-001622
    • MDL: MFCD08275719
    • Inchi: 1S/C5H5IN2O/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3
    • InChI Key: HJMVIKKKZCNEGZ-UHFFFAOYSA-N
    • SMILES: IC1=NC=CC(=N1)OC

Computed Properties

  • Exact Mass: 235.94500
  • Monoisotopic Mass: 235.94466g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 91
  • 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
  • Topological Polar Surface Area: 35
  • XLogP3: 1.2

Experimental Properties

  • PSA: 35.01000
  • LogP: 1.08980

2-Iodo-4-methoxypyrimidine Security Information

2-Iodo-4-methoxypyrimidine 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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2-Iodo-4-methoxypyrimidine Related Literature

Additional information on 2-Iodo-4-methoxypyrimidine

Introduction to 2-Iodo-4-methoxypyrimidine (CAS No. 262353-35-5)

2-Iodo-4-methoxypyrimidine, with the chemical formula C?H?IN?O, is a versatile heterocyclic compound that has garnered significant attention in the field of pharmaceutical and agrochemical research. This compound, identified by its unique Chemical Abstracts Service (CAS) number 262353-35-5, serves as a crucial intermediate in the synthesis of various biologically active molecules. Its structural features, including an iodine substituent at the 2-position and a methoxy group at the 4-position of the pyrimidine ring, make it a valuable building block for further functionalization and derivatization.

The significance of 2-Iodo-4-methoxypyrimidine lies in its broad applicability across multiple domains of chemical synthesis. In pharmaceutical research, this compound is frequently utilized in the development of novel therapeutic agents. Its iodine moiety allows for easy participation in cross-coupling reactions, such as Suzuki-Miyaura and Stille couplings, which are fundamental in constructing complex molecular architectures. These reactions enable the introduction of diverse functional groups, facilitating the creation of libraries of compounds for drug discovery.

Moreover, the methoxy group in 2-Iodo-4-methoxypyrimidine provides a site for further modifications, including oxidation to a carbonyl group or reduction to an alcohol. This flexibility makes it an ideal candidate for exploring different chemical pathways and optimizing reaction conditions for high yields and purity. The compound's role in synthesizing pyrimidine derivatives, which are prevalent in many bioactive molecules, underscores its importance in medicinal chemistry.

Recent advancements in synthetic methodologies have further highlighted the utility of 2-Iodo-4-methoxypyrimidine. For instance, transition-metal-catalyzed reactions have been refined to achieve more efficient and selective transformations. These improvements have enabled researchers to access previously inaccessible derivatives with enhanced biological activity. The compound's compatibility with palladium-catalyzed cross-coupling reactions has been particularly noteworthy, leading to the development of new analogs with potential therapeutic applications.

In agrochemical research, 2-Iodo-4-methoxypyrimidine has been employed in the synthesis of novel pesticides and herbicides. The pyrimidine core is a common structural motif in many agrochemicals due to its ability to interact with biological targets effectively. By leveraging the reactivity of the iodine and methoxy groups, chemists have been able to design molecules that exhibit improved efficacy and reduced environmental impact. This aligns with the growing demand for sustainable agricultural practices worldwide.

The industrial production of 2-Iodo-4-methoxypyrimidine (CAS No. 262353-35-5) has also seen significant advancements. Modern synthetic routes focus on optimizing yield, reducing waste, and ensuring scalability for large-scale applications. Continuous flow chemistry has emerged as a particularly promising approach, offering precise control over reaction conditions and minimizing byproduct formation. These innovations not only enhance the cost-effectiveness of producing 2-Iodo-4-methoxypyrimidine but also contribute to greener chemical manufacturing processes.

From a computational chemistry perspective, 2-Iodo-4-methoxypyrimidine has been extensively studied to understand its reactivity and interaction with biological targets. Molecular modeling techniques have provided insights into how modifications at the 2- and 4-positions influence binding affinity and pharmacokinetic properties. These studies have guided rational drug design efforts, allowing researchers to predictively tailor molecules for specific therapeutic outcomes.

The role of 2-Iodo-4-methoxypyrimidine in material science is also emerging as an area of interest. Pyrimidine derivatives are known for their electronic properties, making them suitable candidates for organic semiconductors and light-emitting diodes (OLEDs). By incorporating this compound into advanced materials, scientists aim to develop more efficient electronic devices with applications ranging from displays to solar cells.

In conclusion, 2-Iodo-4-methoxypyrimidine (CAS No. 262353-35-5) is a multifaceted compound with far-reaching implications across pharmaceuticals, agrochemicals, and materials science. Its unique structural features and reactivity make it an indispensable tool for synthetic chemists seeking to develop novel biologically active molecules. As research continues to evolve, the applications of this compound are expected to expand even further, driving innovation in multiple scientific disciplines.

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