Cas no 28730-78-1 (Dimethyl 4-Bromoisophthalate)

Dimethyl 4-Bromoisophthalate is a brominated aromatic ester commonly used as an intermediate in organic synthesis and pharmaceutical manufacturing. Its key advantages include high purity and stability, making it suitable for precise reactions such as Suzuki-Miyaura cross-coupling or esterification processes. The bromine substituent enhances reactivity for further functionalization, while the methyl ester groups provide versatility in downstream applications. This compound is particularly valuable in the development of fine chemicals, agrochemicals, and advanced materials. Its well-defined structure ensures consistent performance in research and industrial settings, where controlled reactivity and reliable yields are critical. Proper handling and storage are recommended to maintain its integrity.
Dimethyl 4-Bromoisophthalate structure
Dimethyl 4-Bromoisophthalate structure
Product Name:Dimethyl 4-Bromoisophthalate
CAS No:28730-78-1
MF:C10H9BrO4
MW:273.080062627792
MDL:MFCD00048050
CID:1436457
PubChem ID:2824912
Update Time:2025-08-05

Dimethyl 4-Bromoisophthalate Chemical and Physical Properties

Names and Identifiers

    • dimethyl 4-bromo-1,3-Benzenedicarboxylate,dimethyl
    • 4-Bromo-isophthalic acid dimethyl ester
    • Dimethyl 4-bromoisophthalate
    • methyl 2-bromo-5-methoxycarbonylbenzoate
    • 28730-78-1
    • ADXCABFZLVXCNW-UHFFFAOYSA-N
    • 1,3-DIMETHYL 4-BROMOBENZENE-1,3-DICARBOXYLATE
    • MFCD00048050
    • CS-0210474
    • dimethyl 4-bromo-isophthalate
    • dimethyl 4-bromobenzene-1,3-dicarboxylate
    • SCHEMBL851742
    • dimethyl4-bromoisophthalate
    • BS-40481
    • AKOS027426835
    • DB-319870
    • 4-bromoisophthalic acid dimethyl ester
    • methyl2-bromo-5-methoxycarbonylbenzoate
    • Dimethyl 4-Bromoisophthalate
    • MDL: MFCD00048050
    • Inchi: 1S/C10H9BrO4/c1-14-9(12)6-3-4-8(11)7(5-6)10(13)15-2/h3-5H,1-2H3
    • InChI Key: ADXCABFZLVXCNW-UHFFFAOYSA-N
    • SMILES: BrC1=CC=C(C(=O)OC)C=C1C(=O)OC

Computed Properties

  • Exact Mass: 271.96837
  • Monoisotopic Mass: 271.968
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 254
  • 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: 2.3
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • PSA: 52.6

Dimethyl 4-Bromoisophthalate Pricemore >>

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Additional information on Dimethyl 4-Bromoisophthalate

Dimethyl 4-Bromoisophthalate (CAS No. 28730-78-1): A Versatile Intermediate in Modern Chemical Synthesis

Dimethyl 4-Bromoisophthalate, with the chemical formula C8H5BrO4 and CAS number 28730-78-1, is a significant compound in the realm of organic synthesis and pharmaceutical development. This compound, characterized by its 4-Bromoisophthalic acid dimethyl ester structure, has garnered considerable attention due to its utility as a key intermediate in the synthesis of various high-value chemicals, including pharmaceuticals and advanced materials.

The molecular structure of Dimethyl 4-Bromoisophthalate features a rigid aromatic core with a bromine substituent at the fourth position and ester groups at the one and three positions. This unique configuration makes it an excellent precursor for further functionalization, enabling the construction of complex molecular architectures. The presence of the bromine atom provides a handle for various cross-coupling reactions, such as Suzuki-Miyaura, Heck, and Buchwald-Hartwig couplings, which are pivotal in modern drug discovery and material science.

In recent years, Dimethyl 4-Bromoisophthalate has found extensive applications in the development of novel pharmaceuticals. Its role as a building block in constructing heterocyclic compounds has been particularly noteworthy. For instance, researchers have leveraged this compound to synthesize derivatives of isophthalic acid that exhibit promising biological activities. These derivatives have shown potential in targeting various therapeutic areas, including anti-inflammatory, anticancer, and antimicrobial applications. The ability to introduce diverse functional groups into the isophthalic acid backbone via Dimethyl 4-Bromoisophthalate has opened up new avenues for drug design.

The pharmaceutical industry has also utilized Dimethyl 4-Bromoisophthalate in the synthesis of active pharmaceutical ingredients (APIs). Its incorporation into complex molecular frameworks has facilitated the development of drugs with improved pharmacokinetic properties. For example, studies have demonstrated its utility in creating prodrugs that enhance bioavailability and reduce toxicity. The versatility of this compound in medicinal chemistry underscores its importance as a synthetic intermediate.

Beyond pharmaceuticals, Dimethyl 4-Bromoisophthalate plays a crucial role in the synthesis of advanced materials. Its aromatic structure and bromine substituent make it an ideal candidate for polymer chemistry. Researchers have employed this compound to develop novel polymers with enhanced thermal stability and mechanical strength. These polymers find applications in high-performance coatings, adhesives, and composite materials. The ability to fine-tune the properties of these materials through strategic functionalization highlights the significance of Dimethyl 4-Bromoisophthalate in material science.

The chemical reactivity of Dimethyl 4-Bromoisophthalate has been extensively studied and optimized for various synthetic protocols. Recent advancements in catalytic systems have further enhanced its utility by enabling more efficient and selective transformations. For instance, palladium-catalyzed cross-coupling reactions now offer higher yields and improved regioselectivity when using this compound as a substrate. Such improvements have not only streamlined synthetic routes but also expanded the scope of possible applications.

In conclusion, Dimethyl 4-Bromoisophthalate (CAS No. 28730-78-1) is a multifaceted compound with broad applications across multiple industries. Its role as a key intermediate in pharmaceutical synthesis underscores its importance in drug discovery and development. Additionally, its utility in material science highlights its contribution to creating innovative high-performance materials. As research continues to uncover new synthetic possibilities and applications, the significance of this compound is expected to grow further.

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