Cas no 68119-30-2 (5-(bromomethyl)-2,2-difluoro-2H-1,3-benzodioxole)

5-(Bromomethyl)-2,2-difluoro-2H-1,3-benzodioxole is a fluorinated benzodioxole derivative featuring a reactive bromomethyl group, making it a versatile intermediate in organic synthesis. The presence of difluoromethylene at the 2-position enhances its stability and influences electronic properties, while the bromomethyl moiety allows for further functionalization through nucleophilic substitution or cross-coupling reactions. This compound is particularly useful in pharmaceutical and agrochemical research, where fluorinated scaffolds are valued for their metabolic stability and bioavailability. Its well-defined structure and reactivity profile enable precise modifications, facilitating the development of novel bioactive molecules. Suitable for controlled reactions, it offers synthetic flexibility in constructing complex heterocyclic frameworks.
5-(bromomethyl)-2,2-difluoro-2H-1,3-benzodioxole structure
68119-30-2 structure
Product Name:5-(bromomethyl)-2,2-difluoro-2H-1,3-benzodioxole
CAS No:68119-30-2
MF:C8H5BrF2O2
MW:251.024908781052
MDL:MFCD24842627
CID:3186851
PubChem ID:20311383
Update Time:2025-10-29

5-(bromomethyl)-2,2-difluoro-2H-1,3-benzodioxole Chemical and Physical Properties

Names and Identifiers

    • 1,3-BENZODIOXOLE, 5-(BROMOMETHYL)-2,2-DIFLUORO-
    • 5-(bromomethyl)-2,2-difluoro-2H-1,3-benzodioxole
    • 5-(bromomethyl)-2,2-difluorobenzo[d][1,3]dioxole
    • A1-00603
    • 5-(BROMOMETHYL)-2,2-DIFLUORO-1,3-BENZODIOXOLE
    • CS-0050763
    • EN300-258569
    • SCHEMBL2537768
    • 2,2-Difluoro-5-bromomethyl-1,3-benzodioxole
    • 5-(Bromomethyl)-2,2-difluoro-1,3-dioxaindane
    • 68119-30-2
    • 5-bromomethyl-2,2-difluro-1,3-benzodioxolane
    • 855-703-2
    • TCA11930
    • MDL: MFCD24842627
    • Inchi: 1S/C8H5BrF2O2/c9-4-5-1-2-6-7(3-5)13-8(10,11)12-6/h1-3H,4H2
    • InChI Key: AJSFRSHQRVBBKB-UHFFFAOYSA-N
    • SMILES: BrCC1C=CC2=C(C=1)OC(O2)(F)F

Computed Properties

  • Exact Mass: 249.94410g/mol
  • Monoisotopic Mass: 249.94410g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 201
  • 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: 3.3
  • Topological Polar Surface Area: 18.5?2

5-(bromomethyl)-2,2-difluoro-2H-1,3-benzodioxole Pricemore >>

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5-(bromomethyl)-2,2-difluoro-2H-1,3-benzodioxole Related Literature

Additional information on 5-(bromomethyl)-2,2-difluoro-2H-1,3-benzodioxole

Chemical Profile: CAS No. 68119-30-2 - 1,3-BENZODIOXOLE, 5-(BROMOMETHYL)-2,2-DIFLUORO

The compound with CAS No. 68119-30-2, commonly referred to as 1,3-benzodioxole, 5-(bromomethyl)-2,2-difluoro, is a highly specialized organic molecule with significant applications in various fields of chemistry and materials science. This compound is characterized by its unique structure, which includes a benzodioxole ring system substituted with a bromomethyl group and two fluorine atoms at the 2-position. The combination of these substituents imparts distinctive electronic and steric properties to the molecule, making it a valuable compound for research and development purposes.

Benzodioxole derivatives have been extensively studied due to their potential in drug discovery and as intermediates in the synthesis of complex molecules. The presence of the bromomethyl group in this compound introduces reactivity that can be exploited in various synthetic transformations. Recent studies have highlighted the role of such compounds in the development of bioactive agents targeting specific biological pathways. For instance, researchers have explored the use of 5-(bromomethyl)-substituted benzodioxoles in the synthesis of kinase inhibitors and other therapeutic agents.

The fluorine atoms at the 2-position of this compound contribute to its stability and lipophilicity, which are critical properties for enhancing bioavailability in pharmaceutical applications. Fluorinated compounds are particularly sought after in medicinal chemistry due to their ability to modulate pharmacokinetic profiles without significantly altering the core structure of a molecule. This makes CAS No. 68119-30-2 an attractive candidate for further exploration in drug design.

From a synthetic standpoint, the preparation of 1,3-benzodioxole derivatives often involves multi-step reactions that require precise control over regioselectivity and stereoselectivity. The introduction of the bromomethyl group typically involves nucleophilic substitution or electrophilic addition strategies, depending on the specific conditions employed. Recent advancements in catalytic methods have enabled more efficient syntheses of such compounds, reducing production costs and improving scalability.

In terms of applications beyond pharmaceuticals, CAS No. 68119-30-2 has shown promise in materials science as a precursor for advanced polymers and optoelectronic materials. The aromaticity and substituent effects of this compound make it suitable for applications requiring high thermal stability and electronic conductivity.

From an environmental perspective, understanding the fate and transport of fluorinated benzodioxole derivatives is crucial for assessing their potential impact on ecosystems. Recent studies have focused on biodegradation pathways and toxicity profiles to ensure that compounds like CAS No. 68119-30-2 are developed responsibly with minimal environmental footprint.

In conclusion, CAS No. 68119-30-2 - 1,3-benzodioxole, 5-(bromomethyl)-2,2-difluoro stands out as a versatile compound with wide-ranging applications across multiple disciplines. Its unique chemical structure and reactivity continue to drive innovative research efforts aimed at unlocking its full potential in drug discovery, materials science, and beyond.

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