Cas no 1806418-95-0 (1-(2,6-Dibromophenyl)propan-2-one)

1-(2,6-Dibromophenyl)propan-2-one is a brominated aromatic ketone with a molecular formula of C9H8Br2O. This compound features a propan-2-one moiety attached to a 2,6-dibromophenyl group, imparting unique reactivity and structural properties. Its dibrominated aromatic ring enhances electrophilic substitution resistance while maintaining versatility in synthetic applications, such as intermediates in pharmaceutical and agrochemical synthesis. The ketone functionality allows for further derivatization, including reduction or condensation reactions. The compound's stability and well-defined reactivity profile make it a valuable building block in organic synthesis, particularly for constructing complex brominated frameworks. Its crystalline solid form at room temperature facilitates handling and purification in laboratory settings.
1-(2,6-Dibromophenyl)propan-2-one structure
1806418-95-0 structure
Product Name:1-(2,6-Dibromophenyl)propan-2-one
CAS No:1806418-95-0
MF:C9H8Br2O
MW:291.967221260071
CID:4727779
Update Time:2025-05-25

1-(2,6-Dibromophenyl)propan-2-one Chemical and Physical Properties

Names and Identifiers

    • 1-(2,6-Dibromophenyl)propan-2-one
    • FCH4239111
    • AX8275502
    • Inchi: 1S/C9H8Br2O/c1-6(12)5-7-8(10)3-2-4-9(7)11/h2-4H,5H2,1H3
    • InChI Key: VFYAVZNWQIQWAY-UHFFFAOYSA-N
    • SMILES: BrC1C=CC=C(C=1CC(C)=O)Br

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 160
  • Topological Polar Surface Area: 17.1

1-(2,6-Dibromophenyl)propan-2-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A013019996-250mg
1-(2,6-Dibromophenyl)propan-2-one
1806418-95-0 97%
250mg
480.00 USD 2021-06-24
Alichem
A013019996-500mg
1-(2,6-Dibromophenyl)propan-2-one
1806418-95-0 97%
500mg
847.60 USD 2021-06-24
Alichem
A013019996-1g
1-(2,6-Dibromophenyl)propan-2-one
1806418-95-0 97%
1g
1,534.70 USD 2021-06-24
Crysdot LLC
CD12113059-1g
1-(2,6-Dibromophenyl)propan-2-one
1806418-95-0 95+%
1g
$635 2024-07-24

1-(2,6-Dibromophenyl)propan-2-one Related Literature

Additional information on 1-(2,6-Dibromophenyl)propan-2-one

Professional Introduction to Compound with CAS No. 1806418-95-0 and Product Name: 1-(2,6-Dibromophenyl)propan-2-one

The compound identified by the CAS number 1806418-95-0 and the product name 1-(2,6-Dibromophenyl)propan-2-one represents a significant molecule in the realm of chemical and pharmaceutical research. This compound, featuring a dibromophenyl substituent on a propan-2-one backbone, has garnered attention due to its unique structural properties and potential applications in synthetic chemistry and drug development.

Structurally, 1-(2,6-Dibromophenyl)propan-2-one is characterized by the presence of two bromine atoms at the 2 and 6 positions of a phenyl ring, attached to a propanone group. This specific arrangement imparts distinct electronic and steric properties to the molecule, making it a valuable intermediate in organic synthesis. The dibromophenyl moiety enhances reactivity through electrophilic aromatic substitution reactions, while the propan-2-one segment provides a versatile platform for further functionalization.

In recent years, the pharmaceutical industry has shown increasing interest in molecules containing brominated aromatic rings due to their role as key pharmacophores in various therapeutic agents. The presence of bromine atoms can modulate metabolic stability, binding affinity, and overall bioactivity of drug candidates. For instance, studies have demonstrated that brominated compounds often exhibit enhanced binding interactions with biological targets compared to their non-brominated counterparts.

One of the most compelling aspects of 1-(2,6-Dibromophenyl)propan-2-one is its utility as a building block in medicinal chemistry. Researchers have leveraged this compound to synthesize novel molecules with potential therapeutic applications. Notably, derivatives of this structure have been explored in the development of small-molecule inhibitors targeting various disease pathways. The dibromophenyl group serves as an anchor point for further chemical modifications, allowing chemists to introduce additional functional groups such as hydroxyls, amines, or carboxylic acids.

Recent advancements in computational chemistry have further highlighted the significance of 1-(2,6-Dibromophenyl)propan-2-one. Molecular modeling studies indicate that this compound can adopt multiple conformations depending on its environment, which may influence its interactions with biological targets. These insights have guided experimental efforts to optimize synthetic routes and improve yields of biologically active derivatives. Additionally, computational screening has identified new analogs of this compound with enhanced pharmacokinetic profiles.

The synthesis of 1-(2,6-Dibromophenyl)propan-2-one itself presents an interesting challenge due to the need for precise regioselective bromination of the phenyl ring. Traditional bromination methods often suffer from over-bromination or poor yields when applied to electron-rich aromatic systems. However, recent innovations in catalytic bromination have enabled more efficient and selective preparations of this compound. These advancements have not only improved access to 1-(2,6-Dibromophenyl)propan-2-one but also paved the way for similar derivatives.

In conclusion, the compound with CAS no. 1806418-95-0, known as 1-(2,6-Dibromophenyl)propan-2-one, represents a promising candidate for further research and development in pharmaceutical chemistry. Its unique structural features make it a valuable intermediate for synthesizing novel therapeutic agents targeting various diseases. As research continues to uncover new applications for brominated aromatic compounds, compounds like this are likely to play an increasingly important role in drug discovery and development.

Recommended suppliers
SHOCHEM(SHANGHAI) CO.,lTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
SHOCHEM(SHANGHAI) CO.,lTD
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Xinsu New Materials Co., Ltd
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited