Cas no 16251-00-6 (1,4-Diethoxy-2,3,5,6-tetrafluorobenzene)

1,4-Diethoxy-2,3,5,6-tetrafluorobenzene is a fluorinated aromatic compound characterized by its electron-deficient benzene core, substituted with ethoxy groups at the 1 and 4 positions and fluorine atoms at the remaining sites. This structural configuration imparts high chemical stability and resistance to electrophilic attack, making it a valuable intermediate in organic synthesis, particularly for constructing fluorinated aromatic systems. Its electron-withdrawing properties enhance reactivity in nucleophilic substitution reactions, while the ethoxy groups offer functionalization versatility. The compound is useful in pharmaceuticals, agrochemicals, and materials science, where fluorinated motifs are sought for their thermal stability, lipophilicity, and metabolic resistance. Handling requires standard precautions for fluorinated organics.
1,4-Diethoxy-2,3,5,6-tetrafluorobenzene structure
16251-00-6 structure
Product Name:1,4-Diethoxy-2,3,5,6-tetrafluorobenzene
CAS No:16251-00-6
MF:C10H10F4O2
MW:238.178817272186
CID:137099
PubChem ID:2782515
Update Time:2025-06-30

1,4-Diethoxy-2,3,5,6-tetrafluorobenzene Chemical and Physical Properties

Names and Identifiers

    • 1,4-Diethoxy-2,3,5,6-tetrafluorobenzene
    • 1,4-BIS(ETHOXY)TETRAFLUOROBENZENE
    • 1,4-Diethoxytetrafluorobenzene
    • Benzene,1,4-diethoxy-2,3,5,6-tetrafluoro-
    • SCHEMBL16291780
    • DTXSID40382130
    • AKOS007930471
    • 16251-00-6
    • Benzene, 1,4-diethoxy-2,3,5,6-tetrafluoro-
    • A810380
    • MFCD00804629
    • FT-0637342
    • MDL: MFCD00804629
    • Inchi: 1S/C10H10F4O2/c1-3-15-9-5(11)7(13)10(16-4-2)8(14)6(9)12/h3-4H2,1-2H3
    • InChI Key: WVVPQTTXYYMGIK-UHFFFAOYSA-N
    • SMILES: FC1C(=C(C(=C(C=1OCC)F)F)OCC)F

Computed Properties

  • Exact Mass: 238.06200
  • Monoisotopic Mass: 238.06169221g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 179
  • 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: 3
  • Topological Polar Surface Area: 18.5?2

Experimental Properties

  • Melting Point: 49-49.5
  • PSA: 18.46000
  • LogP: 3.04040

1,4-Diethoxy-2,3,5,6-tetrafluorobenzene Security Information

  • Hazard Statement: Irritant
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

1,4-Diethoxy-2,3,5,6-tetrafluorobenzene Customs Data

  • HS CODE:2909309090
  • Customs Data:

    China Customs Code:

    2909309090

    Overview:

    2909309090 Other aromatic ethers and their halogenated derivatives\sulfonation\Nitrated derivative(Including nitrosative derivatives).Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

1,4-Diethoxy-2,3,5,6-tetrafluorobenzene Pricemore >>

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Additional information on 1,4-Diethoxy-2,3,5,6-tetrafluorobenzene

Introduction to 1,4-Diethoxy-2,3,5,6-tetrafluorobenzene (CAS No. 16251-00-6)

1,4-Diethoxy-2,3,5,6-tetrafluorobenzene, identified by the Chemical Abstracts Service Number (CAS No.) 16251-00-6, is a fluorinated aromatic compound that has garnered significant attention in the field of organic synthesis and pharmaceutical research. This compound belongs to the class of diaryl ethers with a unique fluorine substitution pattern, which imparts distinct electronic and steric properties. The presence of four fluorine atoms at the 2, 3, 5, and 6 positions of the benzene ring enhances its reactivity and makes it a valuable intermediate in the synthesis of more complex molecules.

The structural features of 1,4-diethoxy-2,3,5,6-tetrafluorobenzene make it particularly interesting for applications in medicinal chemistry. The combination of electron-withdrawing fluorine atoms and electron-donating ethoxy groups creates a balance that can influence the compound's solubility, metabolic stability, and binding affinity to biological targets. These properties are crucial in the design of novel therapeutic agents targeting various diseases.

In recent years, there has been growing interest in fluorinated aromatic compounds due to their potential advantages over non-fluorinated analogs. Fluorine atoms can modulate the pharmacokinetic properties of drugs by affecting lipophilicity, metabolic clearance, and binding interactions with enzymes and receptors. For instance, fluorine substitution can improve the bioavailability of a drug by increasing its resistance to enzymatic degradation. This has led to the incorporation of fluorinated moieties in many modern pharmaceuticals.

1,4-Diethoxy-2,3,5,6-tetrafluorobenzene has been explored as a building block in the synthesis of various pharmacologically active compounds. Its unique structure allows for further functionalization at multiple sites, enabling chemists to tailor the properties of derived molecules for specific applications. For example, researchers have utilized this compound in the development of kinase inhibitors and other small-molecule drugs that target cancer and inflammatory diseases.

The synthesis of 1,4-diethoxy-2,3,5,6-tetrafluorobenzene typically involves multi-step organic reactions that require careful optimization to achieve high yields and purity. Advanced synthetic methodologies such as cross-coupling reactions and palladium-catalyzed transformations are often employed to introduce the desired fluorine and ethoxy substituents. The efficiency and scalability of these synthetic routes are critical for industrial applications where cost-effectiveness and reproducibility are paramount.

Recent advancements in computational chemistry have also contributed to a better understanding of the reactivity and properties of 1,4-diethoxy-2,3,5,6-tetrafluorobenzene. Molecular modeling studies have revealed insights into how fluorine substitution affects electronic distributions within the molecule, which can be used to predict its behavior in biological systems. These computational tools are invaluable for guiding experimental design and optimizing drug candidates.

The pharmaceutical industry continues to invest in research aimed at discovering new applications for fluorinated aromatic compounds like 1,4-diethoxy-2,3,5,6-tetrafluorobenzene. By leveraging its unique structural features, scientists hope to develop more effective treatments for a wide range of diseases. The compound's versatility as an intermediate makes it a promising candidate for further exploration in both academic and industrial settings.

In conclusion,1,4-Diethoxy-2,3,5,6-tetrafluorobenzene (CAS No. 16251-00-6) is a versatile fluorinated aromatic compound with significant potential in pharmaceutical research. Its structural features enable diverse synthetic applications and offer opportunities for developing novel therapeutic agents. As research in this field progresses,the importance of such intermediates is expected to grow,driving further innovation in drug discovery。

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