Cas no 773134-43-3 (Methyl 4-bromo-2-(methylsulfonyl)benzoate)

Methyl 4-bromo-2-(methylsulfonyl)benzoate is a high-purity synthetic intermediate used in pharmaceutical and agrochemical research. Its key structural features include a bromo substituent at the 4-position and a methylsulfonyl group at the 2-position of the benzoate ring, making it a versatile building block for further functionalization. The compound exhibits excellent stability under standard storage conditions and is compatible with a range of cross-coupling reactions, facilitating its use in the synthesis of complex molecules. Its well-defined reactivity profile and consistent quality make it a reliable choice for applications in medicinal chemistry and material science.
Methyl 4-bromo-2-(methylsulfonyl)benzoate structure
773134-43-3 structure
Product Name:Methyl 4-bromo-2-(methylsulfonyl)benzoate
CAS No:773134-43-3
MF:C9H9BrO4S
MW:293.134361028671
MDL:MFCD06204242
CID:1056262
Update Time:2025-05-21

Methyl 4-bromo-2-(methylsulfonyl)benzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-bromo-2-(methylsulfonyl)benzoate
    • 4-bromo-2-(methylsulfonyl)Benzoic acid methyl ester
    • OMTWUICAKUOXOV-UHFFFAOYSA-N
    • KM1841
    • TRA0072544
    • methyl 4-bromo-2-methylsulfonylbenzoate
    • methyl 4-bromo-2-methanesulfonylbenzoate
    • Methyl4-Bromo-2-(methylsulfonyl)benzoate
    • SY007182
    • AX8173918
    • V7715
    • MDL: MFCD06204242
    • Inchi: 1S/C9H9BrO4S/c1-14-9(11)7-4-3-6(10)5-8(7)15(2,12)13/h3-5H,1-2H3
    • InChI Key: OMTWUICAKUOXOV-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(C(=O)OC)=C(C=1)S(C)(=O)=O

Computed Properties

  • Exact Mass: 291.94000
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 333
  • XLogP3: 2.3
  • Topological Polar Surface Area: 68.8

Experimental Properties

  • PSA: 68.82000
  • LogP: 2.72000

Methyl 4-bromo-2-(methylsulfonyl)benzoate Customs Data

  • HS CODE:2916399090
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Methyl 4-bromo-2-(methylsulfonyl)benzoate Pricemore >>

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Additional information on Methyl 4-bromo-2-(methylsulfonyl)benzoate

Methyl 4-bromo-2-(methylsulfonyl)benzoate (CAS No. 773134-43-3): A Versatile Intermediate in Modern Chemical Biology

Methyl 4-bromo-2-(methylsulfonyl)benzoate, identified by its CAS number 773134-43-3, is a significant compound in the realm of chemical biology and pharmaceutical research. This organic molecule, characterized by its brominated aromatic ring and methylsulfonyl substituent, has garnered considerable attention due to its utility as a key intermediate in the synthesis of various bioactive molecules.

The structural motif of Methyl 4-bromo-2-(methylsulfonyl)benzoate consists of a benzoate backbone, which is a well-documented scaffold in medicinal chemistry. The presence of a bromine atom at the 4-position and a methylsulfonyl group at the 2-position imparts unique reactivity and electronic properties to the molecule. These features make it an invaluable building block for designing novel compounds with potential therapeutic applications.

In recent years, the demand for specialized intermediates like Methyl 4-bromo-2-(methylsulfonyl)benzoate has surged, driven by advancements in drug discovery and development. The compound's ability to undergo various chemical transformations, such as nucleophilic aromatic substitution and Suzuki-Miyaura coupling, makes it particularly useful in constructing complex molecular architectures. These reactions are often employed in the synthesis of small-molecule inhibitors targeting critical biological pathways.

One of the most compelling aspects of Methyl 4-bromo-2-(methylsulfonyl)benzoate is its role in the development of kinase inhibitors. Kinases are enzymes that play a pivotal role in cell signaling, and their dysregulation is associated with numerous diseases, including cancer. Researchers have leveraged the reactivity of this compound to design inhibitors that selectively target specific kinases. For instance, derivatives of Methyl 4-bromo-2-(methylsulfonyl)benzoate have been explored as potential inhibitors of tyrosine kinases, which are overactive in many cancer types.

The methylsulfonyl group in Methyl 4-bromo-2-(methylsulfonyl)benzoate contributes to the compound's ability to interact with biological targets through both hydrophobic and electrostatic interactions. This feature has been exploited in the design of molecules that exhibit high binding affinity to protein receptors. Additionally, the bromine atom serves as a handle for further functionalization, allowing chemists to introduce additional substituents that can modulate biological activity.

Recent studies have highlighted the utility of Methyl 4-bromo-2-(methylsulfonyl)benzoate in the synthesis of antiviral agents. The growing threat of viral infections has prompted researchers to explore novel chemical entities that can interfere with viral replication cycles. The structural features of this compound have been found to be conducive for designing molecules that inhibit viral proteases and polymerases. Such inhibitors are crucial for developing new antiviral drugs that can combat emerging viral threats.

The versatility of Methyl 4-bromo-2-(methylsulfonyl)benzoate extends beyond its applications in drug discovery. It has also been utilized in materials science, where its ability to form stable complexes with metal ions makes it useful in the development of coordination polymers and metal-organic frameworks (MOFs). These materials have potential applications in catalysis, gas storage, and separation technologies.

In conclusion, Methyl 4-bromo-2-(methylsulfonyl)benzoate (CAS No. 773134-43-3) is a multifaceted compound with broad applications in chemical biology and pharmaceutical research. Its unique structural features and reactivity make it an indispensable tool for synthetic chemists working on the development of novel bioactive molecules. As research continues to uncover new therapeutic targets and challenges, compounds like this will remain at the forefront of innovation in drug discovery and beyond.

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