Cas no 681469-97-6 (3-Bromo-3',4'-dimethoxybenzophenone)

3-Bromo-3',4'-dimethoxybenzophenone is a brominated dimethoxybenzophenone derivative with applications in organic synthesis and pharmaceutical intermediates. Its key advantages include its role as a versatile building block in the preparation of complex molecules due to the presence of reactive bromine and methoxy functional groups. The compound's well-defined structure allows for selective modifications, making it useful in cross-coupling reactions and as a precursor for bioactive compounds. Its stability under standard conditions ensures consistent performance in synthetic workflows. The dimethoxy substitution pattern further enhances its utility in fine chemical synthesis, offering controlled reactivity for targeted transformations.
3-Bromo-3',4'-dimethoxybenzophenone structure
681469-97-6 structure
Product Name:3-Bromo-3',4'-dimethoxybenzophenone
CAS No:681469-97-6
MF:C15H13BrO3
MW:321.165923833847
CID:870169
PubChem ID:2754577
Update Time:2025-05-25

3-Bromo-3',4'-dimethoxybenzophenone Chemical and Physical Properties

Names and Identifiers

    • (3-bromophenyl)(3,4-dimethoxyphenyl)methanone
    • (3-bromophenyl)-(3,4-dimethoxyphenyl)methanone
    • 3-Bromo-3',4'-dimethoxybenzophenone
    • (3-Bromo-phenyl)-(3,4-dimethoxy-phenyl)-methanone
    • 681469-97-6
    • CS-0362921
    • AKOS004909499
    • DTXSID70373036
    • MFCD02127297
    • MDL: MFCD02127297
    • Inchi: 1S/C15H13BrO3/c1-18-13-7-6-11(9-14(13)19-2)15(17)10-4-3-5-12(16)8-10/h3-9H,1-2H3
    • InChI Key: GXJWCGOCTKMLQU-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC(=C1)C(C1C=CC(=C(C=1)OC)OC)=O

Computed Properties

  • Exact Mass: 320.00500
  • Monoisotopic Mass: 320.005
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 308
  • 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: 3.9
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • Density: 1.385
  • Boiling Point: 434.5°C at 760 mmHg
  • Flash Point: 216.6°C
  • Refractive Index: 1.579
  • PSA: 35.53000
  • LogP: 3.69730

3-Bromo-3',4'-dimethoxybenzophenone Customs Data

  • HS CODE:2914700090
  • Customs Data:

    China Customs Code:

    2914700090

    Overview:

    2914700090 Halogenation of other ketones and quinones\Sulfonated derivative(Including nitrated and nitrosative derivatives). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acetone declared packaging

    Summary:

    HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

3-Bromo-3',4'-dimethoxybenzophenone Pricemore >>

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3-Bromo-3',4'-dimethoxybenzophenone Related Literature

Additional information on 3-Bromo-3',4'-dimethoxybenzophenone

3-Bromo-3',4'-dimethoxybenzophenone: A Comprehensive Overview

3-Bromo-3',4'-dimethoxybenzophenone (CAS No. 681469-97-6) is a highly specialized organic compound that has garnered significant attention in the fields of pharmaceuticals, materials science, and photonic applications. This compound, characterized by its unique structure and functional groups, has been the subject of extensive research due to its versatile properties and potential applications in advanced technologies.

The molecular structure of 3-Bromo-3',4'-dimethoxybenzophenone consists of a benzophenone backbone with a bromine atom and two methoxy groups attached at specific positions. This arrangement not only imparts stability to the molecule but also enhances its reactivity under certain conditions. Recent studies have highlighted its role as a precursor in the synthesis of bioactive compounds, particularly in the development of novel anti-cancer agents. Researchers have demonstrated that this compound can serve as an intermediate in the construction of complex molecular frameworks, enabling the creation of drugs with improved pharmacokinetic profiles.

In the realm of materials science, 3-Bromo-3',4'-dimethoxybenzophenone has been explored for its potential in organic electronics. Its ability to act as a charge transport material has been validated in several recent publications, where it was incorporated into organic photovoltaic devices. These studies revealed that the compound significantly enhances the efficiency of energy conversion by facilitating electron mobility within the device architecture. Such findings underscore its importance in advancing renewable energy technologies.

Another notable application of 3-Bromo-3',4'-dimethoxybenzophenone lies in its use as a photosensitizer in photodynamic therapy (PDT). PDT is a promising treatment modality for various cancers, and this compound has been shown to generate reactive oxygen species (ROS) upon light activation, leading to selective tumor cell death. Recent clinical trials have demonstrated its efficacy in reducing tumor size without causing significant damage to healthy tissues, making it a potential candidate for future therapeutic interventions.

From a synthetic perspective, 3-Bromo-3',4'-dimethoxybenzophenone is typically synthesized via multi-step reactions involving nucleophilic aromatic substitution and oxidation processes. The synthesis pathway has been optimized in recent years to improve yield and reduce production costs. For instance, researchers have developed a one-pot synthesis method that employs microwave-assisted techniques, significantly accelerating the reaction process while maintaining high purity levels.

In terms of physical properties, 3-Bromo-3',4'-dimethoxybenzophenone exhibits a high melting point and excellent thermal stability, making it suitable for applications that require prolonged exposure to elevated temperatures. Its UV-vis absorption spectrum has also been extensively studied, revealing strong absorbance in the visible region, which is advantageous for its use in light-harvesting applications.

Looking ahead, the demand for 3-Bromo-3',4'-dimethoxybenzophenone is expected to grow as researchers continue to uncover new applications across diverse industries. Its role as a building block in drug discovery, combined with its potential in advanced materials and medical therapies, positions it as a key compound in the coming years.

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