Cas no 61203-58-5 (Benzoic acid, 4-bromo-2,3-dimethoxy-, methyl ester)

Technical Introduction: Benzoic acid, 4-bromo-2,3-dimethoxy-, methyl ester is a brominated and methoxylated benzoate derivative with potential utility as an intermediate in organic synthesis. The presence of bromine and methoxy functional groups enhances its reactivity in electrophilic and nucleophilic substitution reactions, making it valuable for constructing complex aromatic frameworks. Its ester group improves solubility in organic solvents, facilitating purification and handling. This compound may serve as a precursor in pharmaceutical or agrochemical research, particularly in the development of bioactive molecules. Careful storage under inert conditions is recommended to preserve stability due to its sensitive functional groups. Analytical methods such as GC-MS or NMR are typically employed for characterization.
Benzoic acid, 4-bromo-2,3-dimethoxy-, methyl ester structure
61203-58-5 structure
Product Name:Benzoic acid, 4-bromo-2,3-dimethoxy-, methyl ester
CAS No:61203-58-5
MF:C10H11BrO4
MW:275.095942735672
CID:488572
PubChem ID:60200547
Update Time:2025-11-01

Benzoic acid, 4-bromo-2,3-dimethoxy-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 4-bromo-2,3-dimethoxy-, methyl ester
    • methyl 4-bromo-2,3-dimethoxybenzoate
    • DTXSID20733868
    • 61203-58-5
    • AT32220
    • Inchi: 1S/C10H11BrO4/c1-13-8-6(10(12)15-3)4-5-7(11)9(8)14-2/h4-5H,1-3H3
    • InChI Key: PPDHNLSIQGTMHM-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(C(=O)OC)=C(C=1OC)OC

Computed Properties

  • Exact Mass: 273.98403
  • Monoisotopic Mass: 273.98407g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 222
  • 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: 2.4
  • Topological Polar Surface Area: 44.8?2

Experimental Properties

  • PSA: 44.76

Benzoic acid, 4-bromo-2,3-dimethoxy-, methyl ester Pricemore >>

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Additional information on Benzoic acid, 4-bromo-2,3-dimethoxy-, methyl ester

Benzoic Acid, 4-Bromo-2,3-Dimethoxy-, Methyl Ester (CAS No. 61203-58-5)

Benzoic acid, 4-bromo-2,3-dimethoxy-, methyl ester, also known by its CAS number 61203-58-5, is a highly specialized organic compound with significant applications in various fields of chemistry and materials science. This compound is characterized by its unique structure, which includes a benzoic acid moiety substituted with bromine at the para position and methoxy groups at the ortho and meta positions. The methyl ester functionality further enhances its chemical versatility, making it a valuable intermediate in synthetic chemistry.

The synthesis of benzoic acid, 4-bromo-2,3-dimethoxy-, methyl ester typically involves multi-step reactions that require precise control over reaction conditions. Recent advancements in catalytic methods have enabled more efficient syntheses, reducing production costs and minimizing environmental impact. For instance, researchers have explored the use of transition metal catalysts to facilitate the coupling reactions necessary for constructing the aromatic ring with the desired substituents.

In terms of applications, this compound has found significant use in the pharmaceutical industry as an intermediate in drug development. Its structure allows for the exploration of various pharmacophores, making it a valuable tool in medicinal chemistry. Additionally, it has been employed in the synthesis of advanced materials, such as organic semiconductors and functional polymers. The presence of electron-withdrawing groups like bromine and methoxy groups imparts unique electronic properties to the molecule, which are advantageous in these applications.

Recent studies have highlighted the potential of benzoic acid, 4-bromo-2,3-dimethoxy-, methyl ester in biochemistry and biotechnology. For example, researchers have investigated its role as a ligand in metalloenzyme mimics and its ability to coordinate with metal ions for catalytic purposes. These findings underscore its versatility across diverse scientific domains.

The compound's stability under various conditions has also been a subject of recent research. Scientists have reported that the methyl ester group enhances stability compared to other ester derivatives, making it suitable for long-term storage and use in demanding chemical processes. Furthermore, its solubility properties have been optimized through structural modifications, broadening its applicability in different solvent systems.

In conclusion, benzoic acid, 4-bromo-2,3-dimethoxy-, methyl ester (CAS No. 61203-58-5) stands out as a versatile and valuable compound with a wide range of applications. Its unique structure and chemical properties continue to make it an essential component in modern synthetic chemistry and materials science. As research progresses, new insights into its potential uses are expected to emerge, further solidifying its importance in the scientific community.

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