Cas no 1072946-35-0 (4-Boronophthalic acid)

4-Boronophthalic acid is a boronic acid derivative of phthalic acid, primarily utilized as a key intermediate in organic synthesis and pharmaceutical research. Its boronic acid functional group enables participation in Suzuki-Miyaura cross-coupling reactions, making it valuable for constructing complex aromatic systems. The compound exhibits good stability under standard conditions and demonstrates compatibility with various reaction environments. Its structural features allow for precise modifications in drug design and material science applications. The product is typically supplied as a high-purity solid, ensuring consistent performance in synthetic workflows. Researchers value this compound for its reliability in forming carbon-carbon bonds and its role in developing boron-containing target molecules.
4-Boronophthalic acid structure
4-Boronophthalic acid structure
Product Name:4-Boronophthalic acid
CAS No:1072946-35-0
MF:C8H7BO6
MW:209.94858288765
CID:829022
PubChem ID:46738896
Update Time:2025-05-19

4-Boronophthalic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Boronophthalic acid
    • ACMC-2098rz
    • AG-D-22498
    • AK-61418
    • ANW-15645
    • CTK4A5251
    • SureCN918043
    • DTXSID60674544
    • 4-(DIHYDROXYBORANYL)BENZENE-1,2-DICARBOXYLIC ACID
    • AKOS015833656
    • CS-0175193
    • XSB94635
    • 4-Boronophthalicacid
    • MFCD11053803
    • SCHEMBL918043
    • 4-Borono-1,2-benzenedicarboxylic acid
    • BS-22371
    • 1072946-35-0
    • DB-426060
    • 4-Boronobenzene-1,2-dicarboxylic acid
    • MDL: MFCD11053803
    • Inchi: 1S/C8H7BO6/c10-7(11)5-2-1-4(9(14)15)3-6(5)8(12)13/h1-3,14-15H,(H,10,11)(H,12,13)
    • InChI Key: WBFFWDAYSKENSS-UHFFFAOYSA-N
    • SMILES: OC(C1C=C(B(O)O)C=CC=1C(=O)O)=O

Computed Properties

  • Exact Mass: 210.03400
  • Monoisotopic Mass: 210.0335681g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 266
  • 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
  • Topological Polar Surface Area: 115?2

Experimental Properties

  • Density: 1.63±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (14 g/l) (25 o C),
  • PSA: 115.06000
  • LogP: -1.23720

4-Boronophthalic acid Pricemore >>

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Additional information on 4-Boronophthalic acid

4-Boronophthalic Acid (CAS 1072946-35-0): A Versatile Boron-Containing Building Block for Organic Synthesis

4-Boronophthalic acid (CAS 1072946-35-0), a boron-functionalized derivative of phthalic acid, has emerged as an important organic boron compound in modern synthetic chemistry. This white to off-white crystalline powder with molecular formula C8H5BO4 offers unique reactivity patterns that make it valuable for various cross-coupling reactions and pharmaceutical intermediates synthesis.

The growing interest in boron-containing compounds stems from their widespread applications in drug discovery, material science, and agrochemical development. As researchers increasingly explore sustainable chemistry solutions, compounds like 4-boronophthalic acid have gained attention due to their ability to facilitate green synthetic pathways with reduced environmental impact.

From a structural perspective, 4-boronophthalic acid features both a boronic acid functional group and two carboxylic acid groups on an aromatic ring. This unique combination enables diverse chemical transformations, particularly in Suzuki-Miyaura coupling reactions which are fundamental to constructing complex organic molecules. The compound's water solubility and thermal stability (typically stable up to 200°C) make it particularly useful for various industrial applications.

Recent advances in cancer research have highlighted the importance of boron-based compounds, with 4-boronophthalic acid serving as a precursor for developing novel therapeutic agents. The pharmaceutical industry particularly values this compound for creating targeted drug delivery systems and enzyme inhibitors. Its ability to form stable complexes with various biomolecules makes it attractive for medicinal chemistry applications.

In material science, researchers utilize 4-boronophthalic acid for developing advanced polymeric materials with unique properties. The compound serves as a building block for coordination polymers and metal-organic frameworks (MOFs), which find applications in gas storage, separation technologies, and catalysis. The growing demand for energy storage solutions has further increased interest in boron-containing compounds for battery materials development.

The synthesis of 4-boronophthalic acid typically involves halogen-lithium exchange reactions followed by treatment with borate esters. Modern process optimization techniques have improved yields and purity levels, making the compound more accessible for research laboratories and industrial scale production. Quality control measures typically include HPLC analysis and NMR spectroscopy to ensure product consistency.

From a commercial perspective, the global market for boronic acid derivatives has shown steady growth, driven by increasing demand from the pharmaceutical sector and electronic materials industry. 4-Boronophthalic acid suppliers often provide the compound with purity levels ranging from 95% to 99%, packaged under inert atmosphere to maintain stability. Proper storage conditions (typically 2-8°C in airtight containers) are crucial for preserving the compound's chemical integrity.

Environmental considerations for 4-boronophthalic acid include its biodegradability profile and ecotoxicity data, which are increasingly important in today's regulated chemical industry. While generally considered stable under normal conditions, proper laboratory handling procedures should always be followed when working with this or any chemical substance.

Future research directions for 4-boronophthalic acid include exploring its potential in renewable energy applications and advanced catalysis systems. The compound's versatility continues to attract attention from academic and industrial researchers alike, particularly in developing next-generation materials and sustainable chemical processes.

For researchers considering 4-boronophthalic acid for their projects, it's important to consult recent scientific literature and patent databases to stay updated on the latest applications and synthetic methodologies. The compound's structure-activity relationships continue to be an active area of investigation, with new discoveries regularly expanding its potential uses in chemical innovation.

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