Cas no 858447-32-2 (2,4-Dichloro-6-ethoxypyrimidine)

2,4-Dichloro-6-ethoxypyrimidine is a versatile organic compound known for its potent biological activity. Its unique structure, characterized by a pyrimidine core substituted with chloro and ethoxy groups, makes it an effective tool in drug discovery and organic synthesis. This compound exhibits high stability and reactivity, enabling it to participate in various chemical transformations. Its broad range of applications in pharmaceuticals and agrochemicals underscores its significance in the chemical industry.
2,4-Dichloro-6-ethoxypyrimidine structure
858447-32-2 structure
Product Name:2,4-Dichloro-6-ethoxypyrimidine
CAS No:858447-32-2
MF:C6H6Cl2N2O
MW:193.0306391716
MDL:MFCD22681695
CID:1034300
PubChem ID:19100535
Update Time:2025-07-19

2,4-Dichloro-6-ethoxypyrimidine Chemical and Physical Properties

Names and Identifiers

    • 2,4-Dichloro-6-ethoxypyrimidine
    • 2,4-Dichloro-6-ethoxy-pyrimidine
    • F19672
    • J-507151
    • AKOS016845335
    • 858447-32-2
    • A849832
    • 2,6-Dichloro-4-ethoxy-pyrimidine
    • SB57633
    • SCHEMBL9432871
    • DTXSID40598072
    • DB-302364
    • MDL: MFCD22681695
    • Inchi: 1S/C6H6Cl2N2O/c1-2-11-5-3-4(7)9-6(8)10-5/h3H,2H2,1H3
    • InChI Key: YTXWAMAMJJPVKN-UHFFFAOYSA-N
    • SMILES: ClC1=CC(=NC(=N1)Cl)OCC

Computed Properties

  • Exact Mass: 191.9857182g/mol
  • Monoisotopic Mass: 191.9857182g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 125
  • 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: 2.8
  • Topological Polar Surface Area: 35?2

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Additional information on 2,4-Dichloro-6-ethoxypyrimidine

Professional Introduction to 2,4-Dichloro-6-ethoxypyrimidine (CAS No. 858447-32-2)

2,4-Dichloro-6-ethoxypyrimidine, with the chemical formula C?H?Cl?NO?, is a significant intermediate in modern pharmaceutical and agrochemical synthesis. This compound, identified by its CAS number 858447-32-2, has garnered attention due to its versatile reactivity and utility in the development of novel active ingredients. Its molecular structure, featuring both chloro and ethoxy substituents on a pyrimidine core, makes it a valuable building block for further functionalization.

The relevance of 2,4-Dichloro-6-ethoxypyrimidine in contemporary chemical research is underscored by its role in synthesizing various biologically active molecules. Recent studies have highlighted its application in the preparation of pyrimidine-based drugs that exhibit promising pharmacological properties. For instance, derivatives of this compound have been explored for their potential in inhibiting kinases and other enzymes involved in cancer pathways. The chloro and ethoxy groups provide strategic handles for chemical modifications, enabling the design of molecules with tailored selectivity and efficacy.

In the realm of agrochemicals, 2,4-Dichloro-6-ethoxypyrimidine serves as a precursor for herbicides and fungicides. Its structural features allow for the development of compounds that target specific enzymatic pathways in pests and weeds, offering a pathway to more sustainable agricultural practices. The ability to modify its core structure has led to the discovery of novel agents that demonstrate improved environmental compatibility while maintaining high efficacy.

One of the most compelling aspects of 2,4-Dichloro-6-ethoxypyrimidine is its role in medicinal chemistry. Researchers have leveraged its scaffold to create inhibitors of viral proteases, which are critical for antiviral drug development. The pyrimidine ring itself is a common motif in nucleoside analogs, which are widely used to treat infectious diseases. By incorporating 858447-32-2 into these frameworks, scientists have been able to develop new generations of antiviral agents with enhanced potency and reduced side effects.

The synthetic utility of this compound extends beyond pharmaceuticals into materials science. Pyrimidine derivatives are known for their electronic properties, making them suitable for applications in organic semiconductors and optoelectronic devices. The chlorine atoms in 2,4-Dichloro-6-ethoxypyrimidine can be selectively replaced or modified to tailor the electronic characteristics of the final product. This has opened up new avenues for developing advanced materials with applications in flexible electronics and photovoltaics.

Recent advances in green chemistry have also influenced the use of 858447-32-2. Researchers are increasingly focused on optimizing synthetic routes to minimize waste and energy consumption. Catalytic methods have been developed to facilitate the transformation of this intermediate into more complex molecules under milder conditions. These innovations align with global efforts to promote sustainable chemical manufacturing practices.

The pharmacological potential of derivatives derived from 2,4-Dichloro-6-ethoxypyrimidine continues to be explored through cutting-edge research methodologies such as high-throughput screening and computational modeling. These approaches enable the rapid identification of lead compounds with desirable biological activity. The integration of machine learning algorithms has further accelerated this process by predicting molecular properties and optimizing synthetic strategies.

In conclusion, 2,4-Dichloro-6-ethoxypyrimidine (CAS No. 858447-32-2) represents a cornerstone compound in modern chemical synthesis. Its versatility as an intermediate has driven innovation across multiple sectors, from pharmaceuticals to agrochemicals and materials science. As research progresses, the full spectrum of its applications is expected to expand, reinforcing its importance as a key building block in the chemical industry.

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