Cas no 79069-70-8 (1,5-Difluoro-2,4-dimethoxybenzene)

1,5-Difluoro-2,4-dimethoxybenzene structure
79069-70-8 structure
Product Name:1,5-Difluoro-2,4-dimethoxybenzene
CAS No:79069-70-8
MF:C8H8F2O2
MW:174.144729614258
MDL:MFCD13193047
CID:533433
PubChem ID:12735307
Update Time:2025-07-21

1,5-Difluoro-2,4-dimethoxybenzene Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1,5-difluoro-2,4-dimethoxy-
    • 1,5-DIFLUORO-2,4-DIMETHOXYBENZENE
    • 2,4-difluoro-1,5-dimethoxybenzene
    • 4,6-difluoro-1,3-dimethoxybenzene
    • 4,6-Difluororesorcinol dimethyl ether
    • Benzene,1,5-difluoro-2,4-dimethoxy
    • PC6689
    • 1,3-Difluoro-4,6-dimethoxybenzene
    • SBB088875
    • FCH1140897
    • SY059779
    • AKOS025310470
    • AC-29905
    • SCHEMBL18481797
    • 79069-70-8
    • MFCD13193047
    • DTXSID00508470
    • AC6835
    • CS-12492
    • A923373
    • 1,5-Difluoro-2,4-dimethoxybenzene (ACI)
    • XH1467
    • DB-180573
    • 1,5-Difluoro-2,4-dimethoxybenzene
    • MDL: MFCD13193047
    • Inchi: 1S/C8H8F2O2/c1-11-7-4-8(12-2)6(10)3-5(7)9/h3-4H,1-2H3
    • InChI Key: INATUVGKCBFRFJ-UHFFFAOYSA-N
    • SMILES: FC1C(OC)=CC(OC)=C(F)C=1

Computed Properties

  • Exact Mass: 174.04900
  • Monoisotopic Mass: 174.04923582g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 129
  • 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: 18.5
  • XLogP3: 2.1

Experimental Properties

  • PSA: 18.46000
  • LogP: 1.98200

1,5-Difluoro-2,4-dimethoxybenzene Pricemore >>

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1,5-Difluoro-2,4-dimethoxybenzene Production Method

Production Method 1

Reaction Conditions
Reference
Acetyl hypofluorite as a taming carrier of elemental fluorine for novel electrophilic fluorination of activated aromatic rings
Lerman, Ori; Tor, Yitzhak; Rozen, Shlomo, Journal of Organic Chemistry, 1981, 46(22), 4629-31

Production Method 2

Reaction Conditions
1.1 Reagents: Selectfluor ;  1 - 8 h, rt → 90 °C
Reference
Kinetics of Electrophilic Fluorinations of Enamines and Carbanions: Comparison of the Fluorinating Power of N-F Reagents
Timofeeva, Daria S.; Ofial, Armin R. ; Mayr, Herbert, Journal of the American Chemical Society, 2018, 140(36), 11474-11486

Production Method 3

Reaction Conditions
1.1 Reagents: Selectfluor Solvents: Acetonitrile ;  3 - 6 h, rt; 2 - 5 h, rt
Reference
Arene Amination Instead of Fluorination: Substitution Pattern Governs the Reactivity of Dialkoxybenzenes with Selectfluor
Capilato, Joseph N. ; Lectka, Thomas, Journal of Organic Chemistry, 2021, 86(8), 5771-5777

Production Method 4

Reaction Conditions
1.1 Reagents: 2,6-Di-tert-butyl-4-methylphenol Solvents: Water ,  Poly(oxy-1,2-ethanediyl), α-[[(2S)-1-(1-oxododecyl)-2-pyrrolidinyl]carbonyl]-ω-m… ;  2 - 3 h, rt
1.2 Reagents: N-Fluorobenzenesulfonimide Solvents: Tetrahydrofuran ;  10 min, rt; 36 h, 60 °C
Reference
Shielding Effect of Micelle for Highly Effective and Selective Monofluorination of Indoles in Water
Bora, Pranjal P.; Bihani, Manisha; Plummer, Scott; Gallou, Fabrice; Handa, Sachin, ChemSusChem, 2019, 12(13), 3037-3042

Production Method 5

Reaction Conditions
1.1 Reagents: Selectfluor ;  1 h, 85 - 90 °C
Reference
Solvent-free fluorination of organic compounds using N-F reagents
Stavber, Gaj; Zupan, Marko; Stavber, Stojan, Tetrahedron Letters, 2007, 48(15), 2671-2673

Production Method 6

Reaction Conditions
1.1 Reagents: Hypofluorous acid, trifluoromethyl ester Solvents: Trichlorofluoromethane
Reference
Facile preparations of 4-fluororesorcinol
Belanger, Patrice C.; Lau, C. K.; Williams, Haydn W. R.; Dufresne, C.; Scheigetz, John, Canadian Journal of Chemistry, 1988, 66(6), 1479-82

Production Method 7

Reaction Conditions
1.1 Reagents: N-Fluorobenzenesulfonimide ;  3 h, rt
Reference
Multi-faceted reactivity of N-fluorobenzenesulfonimide (NFSI) under mechanochemical conditions: fluorination, fluorodemethylation, sulfonylation, and amidation reactions
Hernandez, Jose G.; Ardila-Fierro, Karen J. ; Barisic, Dajana; Geneste, Herve, Beilstein Journal of Organic Chemistry, 2022, 18, 182-189

Production Method 8

Reaction Conditions
1.1 Reagents: Selectfluor Solvents: 1-Butyl-3-methylimidazolium tetrafluoroborate ;  rt → 70 °C; 3 h, 70 °C
Reference
Transformations of organic molecules with F-TEDA-BF4 in ionic liquid media
Pavlinac, Jasminka; Zupan, Marko; Stavber, Stojan, Molecules, 2009, 14(7), 2394-2409

1,5-Difluoro-2,4-dimethoxybenzene Raw materials

1,5-Difluoro-2,4-dimethoxybenzene Preparation Products

1,5-Difluoro-2,4-dimethoxybenzene Suppliers

Amadis Chemical Company Limited
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(CAS:79069-70-8)1,5-Difluoro-2,4-dimethoxybenzene
Order Number:A923373
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 14:36
Price ($):278.0

Additional information on 1,5-Difluoro-2,4-dimethoxybenzene

Recent Advances in the Study of 1,5-Difluoro-2,4-dimethoxybenzene (CAS: 79069-70-8) in Chemical Biology and Pharmaceutical Research

1,5-Difluoro-2,4-dimethoxybenzene (CAS: 79069-70-8) 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 unique fluorine substitution pattern and methoxy groups, serves as a valuable building block in the synthesis of complex molecules, including potential drug candidates and bioactive probes. Recent studies have explored its utility in various contexts, ranging from medicinal chemistry to materials science, highlighting its broad applicability and potential for innovation.

One of the key areas of interest is the role of 1,5-Difluoro-2,4-dimethoxybenzene in the development of novel fluorinated pharmaceuticals. Fluorination is a common strategy in drug design, as it can enhance metabolic stability, bioavailability, and binding affinity. Researchers have utilized this compound as a precursor in the synthesis of fluorinated analogs of known drugs, aiming to improve their pharmacological profiles. For instance, a 2023 study published in the Journal of Medicinal Chemistry demonstrated the successful incorporation of 1,5-Difluoro-2,4-dimethoxybenzene into a series of kinase inhibitors, resulting in compounds with improved selectivity and potency against cancer-related targets.

In addition to its pharmaceutical applications, 1,5-Difluoro-2,4-dimethoxybenzene has been investigated for its potential in chemical biology. Its fluorine atoms make it an attractive candidate for use in 19F NMR spectroscopy, a powerful tool for studying protein-ligand interactions and molecular dynamics. A recent study in ACS Chemical Biology showcased the compound's utility as a 19F NMR probe, enabling researchers to monitor conformational changes in proteins with high sensitivity. This approach opens new avenues for understanding the mechanistic details of biological processes and drug action.

Another emerging application of 1,5-Difluoro-2,4-dimethoxybenzene lies in the field of materials science. Its unique electronic properties, conferred by the fluorine and methoxy substituents, make it a promising candidate for the development of organic electronic materials. A 2022 publication in Advanced Materials reported the incorporation of this compound into organic semiconductors, yielding materials with enhanced charge transport properties and stability. These findings suggest potential applications in flexible electronics, sensors, and other advanced technologies.

Despite its promising applications, challenges remain in the large-scale synthesis and functionalization of 1,5-Difluoro-2,4-dimethoxybenzene. Recent efforts have focused on developing more efficient and sustainable synthetic routes, as highlighted in a 2023 Green Chemistry article. The study presented a catalytic method for the selective fluorination of dimethoxybenzene derivatives, reducing the reliance on hazardous reagents and improving overall yield. Such advancements are critical for enabling the broader adoption of this compound in industrial and academic settings.

In conclusion, 1,5-Difluoro-2,4-dimethoxybenzene (CAS: 79069-70-8) represents a multifaceted tool in modern chemical and pharmaceutical research. Its applications span drug development, chemical biology, and materials science, driven by its unique structural and electronic properties. Ongoing research continues to uncover new possibilities for this compound, underscoring its importance in advancing scientific and technological innovation. Future studies will likely explore its potential in emerging fields such as targeted drug delivery and bioimaging, further expanding its impact on the life sciences.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:79069-70-8)1,5-Difluoro-2,4-dimethoxybenzene
A923373
Purity:99%
Quantity:1g
Price ($):278.0
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