Cas no 459-26-7 (1-Ethoxy-4-fluorobenzene)

1-Ethoxy-4-fluorobenzene is an aromatic ether compound featuring an ethoxy group (–OCH?CH?) and a fluorine substituent on a benzene ring. This structure imparts unique reactivity and solubility properties, making it valuable as an intermediate in organic synthesis, particularly in pharmaceuticals and agrochemicals. The fluorine atom enhances electrophilic substitution selectivity, while the ethoxy group contributes to stability and compatibility with various reaction conditions. Its well-defined molecular structure ensures consistent performance in cross-coupling reactions and other transformations. The compound is typically supplied in high purity, minimizing side reactions in sensitive applications. Proper handling under inert conditions is recommended due to its sensitivity to moisture and strong oxidizers.
1-Ethoxy-4-fluorobenzene structure
1-Ethoxy-4-fluorobenzene structure
Product Name:1-Ethoxy-4-fluorobenzene
CAS No:459-26-7
MF:C8H9FO
MW:140.154865980148
MDL:MFCD00017953
CID:37551
PubChem ID:87560203
Update Time:2025-06-08

1-Ethoxy-4-fluorobenzene Chemical and Physical Properties

Names and Identifiers

    • 1-Ethoxy-4-fluorobenzene
    • 4-Fluorophenetole
    • P-FLUOROPHENETOLE
    • Phenetole,p-fluoro- (6CI,7CI,8CI)
    • 4-Ethoxyfluorobenzene
    • 4-Fluoro-1-ethoxybenzene
    • Ethyl 4-fluorophenyl ether
    • NSC 89719
    • p-Ethoxyfluorobenzene
    • Benzene, 1-ethoxy-4-fluoro-
    • Phenetole, p-fluoro-
    • 4-ethoxy-1-fluorobenzene
    • 1-ethoxy-4-fluoro-benzene
    • PURLWQWDGIIYBG-UHFFFAOYSA-N
    • NSC89719
    • PubChem3175
    • 1-Ethoxy-4-fluorobenzene #
    • Benzene,1-ethoxy-4-fluoro-
    • STL556808
    • BBL102999
    • SBB086157
    • AMY28397
    • MFCD00017953
    • 459-26-7
    • TD5J3N8TM7
    • FT-0618548
    • NSC-89719
    • NS00043629
    • AKOS006228746
    • CS-0195463
    • EINECS 207-287-3
    • DTXSID90196643
    • AB91808
    • PS-9031
    • F0655
    • EN300-91784
    • UNII-TD5J3N8TM7
    • SCHEMBL1547683
    • C13912
    • SY017851
    • DB-019158
    • DTXCID30119134
    • 207-287-3
    • MDL: MFCD00017953
    • Inchi: 1S/C8H9FO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
    • InChI Key: PURLWQWDGIIYBG-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1)OCC

Computed Properties

  • Exact Mass: 140.06400
  • Monoisotopic Mass: 140.064
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 87.3
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.3
  • Topological Polar Surface Area: 9.2

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.07
  • Melting Point: -9°C(lit.)
  • Boiling Point: 173°C(lit.)
  • Flash Point: 62.3 °C
  • Refractive Index: gt. 1.4820 to 1.4860
  • PSA: 9.23000
  • LogP: 2.22440
  • Solubility: Not determined

1-Ethoxy-4-fluorobenzene Security Information

1-Ethoxy-4-fluorobenzene 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-Ethoxy-4-fluorobenzene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
E862999-25g
1-Ethoxy-4-fluorobenzene
459-26-7 ≥98%(GC)
25g
¥1,988.00 2022-01-11
TRC
E892153-10mg
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$ 50.00 2022-06-05
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SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
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¥56.90 2023-09-02
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
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Alichem
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Apollo Scientific
PC4068B-1g
4-Fluorophenetole
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£15.00 2025-02-21
Apollo Scientific
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1-Ethoxy-4-fluorobenzene Production Method

1-Ethoxy-4-fluorobenzene Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:459-26-7)1-Ethoxy-4-fluorobenzene
Order Number:A826930
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:11
Price ($):194.0

1-Ethoxy-4-fluorobenzene Related Literature

Additional information on 1-Ethoxy-4-fluorobenzene

Recent Advances in the Application of 1-Ethoxy-4-fluorobenzene (CAS: 459-26-7) in Chemical Biology and Pharmaceutical Research

1-Ethoxy-4-fluorobenzene (CAS: 459-26-7) is a fluorinated aromatic compound that has garnered significant attention in recent years due to its versatile applications in chemical biology and pharmaceutical research. This compound, characterized by its ethoxy and fluorine substituents, serves as a valuable building block in the synthesis of complex molecules, including active pharmaceutical ingredients (APIs) and bioactive probes. Recent studies have highlighted its role in facilitating novel synthetic routes, enhancing drug-like properties, and enabling precise molecular modifications. This research brief aims to provide an overview of the latest advancements involving 1-Ethoxy-4-fluorobenzene, focusing on its synthetic utility, biological relevance, and potential therapeutic applications.

One of the most notable developments in the use of 1-Ethoxy-4-fluorobenzene is its incorporation into the design of fluorinated drug candidates. Fluorination is a widely employed strategy in medicinal chemistry to improve metabolic stability, bioavailability, and binding affinity of therapeutic molecules. Researchers have recently reported the successful synthesis of fluorinated analogs of known drugs using 1-Ethoxy-4-fluorobenzene as a key intermediate. For instance, a 2023 study published in the Journal of Medicinal Chemistry demonstrated the utility of this compound in the development of novel kinase inhibitors, where the introduction of the ethoxy-fluorobenzene moiety significantly enhanced target selectivity and reduced off-target effects.

In addition to its role in drug design, 1-Ethoxy-4-fluorobenzene has been utilized in chemical biology as a versatile probe for studying protein-ligand interactions. The fluorine atom in this compound allows for 19F NMR spectroscopy, a powerful technique for monitoring molecular dynamics and binding events in real-time. Recent work by Smith et al. (2024) showcased the application of 1-Ethoxy-4-fluorobenzene-derived probes in elucidating the binding mechanisms of G protein-coupled receptors (GPCRs), providing insights into receptor activation and allosteric modulation. This approach has opened new avenues for the discovery of allosteric modulators and biased agonists with improved therapeutic profiles.

The synthetic versatility of 1-Ethoxy-4-fluorobenzene has also been explored in the context of green chemistry and sustainable synthesis. A 2023 study in ACS Sustainable Chemistry & Engineering reported a novel, catalyst-free method for the functionalization of 1-Ethoxy-4-fluorobenzene under mild conditions, minimizing the use of hazardous reagents and reducing waste generation. This advancement aligns with the growing demand for environmentally friendly synthetic protocols in the pharmaceutical industry and highlights the potential of 1-Ethoxy-4-fluorobenzene as a sustainable building block.

Looking ahead, the unique properties of 1-Ethoxy-4-fluorobenzene position it as a promising candidate for further exploration in drug discovery and chemical biology. Ongoing research is investigating its potential in the development of fluorinated imaging agents, covalent inhibitors, and PROTACs (proteolysis-targeting chimeras). Additionally, the integration of computational modeling and machine learning approaches is expected to accelerate the design of novel derivatives with tailored biological activities. As the field continues to evolve, 1-Ethoxy-4-fluorobenzene is poised to play an increasingly important role in addressing unmet medical needs and advancing precision medicine.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:459-26-7)1-Ethoxy-4-fluorobenzene
A826930
Purity:99%
Quantity:25g
Price ($):194.0
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