Cas no 1830346-16-1 (4-Bromo-1-chloro-2-(2-ethoxyphenyl)methylbenzene)

4-Bromo-1-chloro-2-(2-ethoxyphenyl)methylbenzene structure
1830346-16-1 structure
Product Name:4-Bromo-1-chloro-2-(2-ethoxyphenyl)methylbenzene
CAS No:1830346-16-1
MF:C15H14BrClO
MW:325.628062725067
CID:4557936
PubChem ID:122674141
Update Time:2025-07-25

4-Bromo-1-chloro-2-(2-ethoxyphenyl)methylbenzene Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-1-chloro-2-(2-ethoxybenzyl)benzene
    • Dapagliflozin Impurity 2
    • 4-bromo-1-chloro-2-[(2-ethoxyphenyl)methyl]benzene
    • F74185
    • SCHEMBL18210531
    • 1830346-16-1
    • CS-0165482
    • 4-bromo-1-chloro-2-(2-ethoxybenzyl)benzene? (Dapagliflozin Impurity pound(c)
    • 4-Bromo-1-chloro-2-(2-ethoxyphenyl)methylbenzene
    • Inchi: 1S/C15H14BrClO/c1-2-18-15-6-4-3-5-11(15)9-12-10-13(16)7-8-14(12)17/h3-8,10H,2,9H2,1H3
    • InChI Key: OJDCRWLGJWSFFT-UHFFFAOYSA-N
    • SMILES: BrC1=CC=C(C(=C1)CC1C=CC=CC=1OCC)Cl

Computed Properties

  • Exact Mass: 323.99166 g/mol
  • Monoisotopic Mass: 323.99166 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 249
  • 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: 5.5
  • Topological Polar Surface Area: 9.2
  • Molecular Weight: 325.63

4-Bromo-1-chloro-2-(2-ethoxyphenyl)methylbenzene Security Information

4-Bromo-1-chloro-2-(2-ethoxyphenyl)methylbenzene Pricemore >>

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Additional information on 4-Bromo-1-chloro-2-(2-ethoxyphenyl)methylbenzene

Research Briefing on 4-Bromo-1-chloro-2-(2-ethoxyphenyl)methylbenzene (CAS: 1830346-16-1) in Chemical Biology and Pharmaceutical Applications

4-Bromo-1-chloro-2-(2-ethoxyphenyl)methylbenzene (CAS: 1830346-16-1) is a halogenated aromatic compound that has recently gained attention in the field of chemical biology and pharmaceutical research. This compound, with its unique structural features, has been explored for its potential applications in drug discovery and development. The presence of bromo and chloro substituents, along with the ethoxyphenyl moiety, makes it a versatile intermediate for the synthesis of more complex molecules with potential biological activity.

Recent studies have focused on the synthesis and characterization of 4-Bromo-1-chloro-2-(2-ethoxyphenyl)methylbenzene, as well as its utility in cross-coupling reactions. Palladium-catalyzed coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig reactions, have been employed to derivatize this compound, yielding a variety of novel scaffolds. These derivatives are being screened for their pharmacological properties, including antimicrobial, anti-inflammatory, and anticancer activities.

One of the key findings in the latest research is the compound's role as a precursor in the development of kinase inhibitors. Kinases are critical targets in the treatment of various cancers and inflammatory diseases. The structural flexibility of 4-Bromo-1-chloro-2-(2-ethoxyphenyl)methylbenzene allows for the introduction of diverse functional groups, enabling the optimization of binding affinity and selectivity towards specific kinase targets. Preliminary in vitro studies have shown promising results, with some derivatives exhibiting potent inhibitory activity against key oncogenic kinases.

In addition to its applications in drug discovery, this compound has also been investigated for its potential in chemical biology tools. Its halogenated aromatic structure makes it a suitable candidate for photoaffinity labeling, a technique used to study protein-ligand interactions. Researchers have successfully incorporated 4-Bromo-1-chloro-2-(2-ethoxyphenyl)methylbenzene into probes that can covalently bind to target proteins upon photoactivation, facilitating the identification and characterization of drug targets.

Despite these advancements, challenges remain in the scalable synthesis and purification of 4-Bromo-1-chloro-2-(2-ethoxyphenyl)methylbenzene. Recent efforts have focused on optimizing reaction conditions to improve yield and reduce byproducts. Green chemistry approaches, such as the use of recyclable catalysts and solvent-free conditions, are being explored to enhance the sustainability of its production.

In conclusion, 4-Bromo-1-chloro-2-(2-ethoxyphenyl)methylbenzene (CAS: 1830346-16-1) represents a valuable building block in medicinal chemistry and chemical biology. Its versatility in synthesis and potential biological applications make it a compound of significant interest. Future research directions may include further exploration of its derivatives for targeted therapies and the development of more efficient synthetic routes. Continued investigation into its mechanisms of action and pharmacokinetic properties will be essential for translating these findings into clinical applications.

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