Cas no 1073354-50-3 (3,5-Difluoro-2-methoxyphenylboronic acid, pinacol ester)

3,5-Difluoro-2-methoxyphenylboronic acid pinacol ester is a high-purity boronic ester derivative commonly employed in Suzuki-Miyaura cross-coupling reactions. Its pinacol ester group enhances stability, improving handling and storage compared to the free boronic acid form. The electron-withdrawing difluoro and methoxy substituents on the phenyl ring influence reactivity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. This compound exhibits good solubility in organic solvents, facilitating its use in homogeneous catalytic systems. Its consistent performance and compatibility with a range of reaction conditions make it a reliable choice for constructing complex biaryl structures in medicinal chemistry and materials science applications.
3,5-Difluoro-2-methoxyphenylboronic acid, pinacol ester structure
1073354-50-3 structure
Product Name:3,5-Difluoro-2-methoxyphenylboronic acid, pinacol ester
CAS No:1073354-50-3
MF:C13H17BF2O3
MW:270.080091238022
MDL:MFCD07781207
CID:827922
PubChem ID:329774444
Update Time:2025-06-08

3,5-Difluoro-2-methoxyphenylboronic acid, pinacol ester Chemical and Physical Properties

Names and Identifiers

    • 2-(3,5-Difluoro-2-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
    • 3,5-Difluoro-2-methoxyphenylboronic acid pinacol ester
    • 1073354-50-3
    • MB04803
    • CS-0120179
    • J-001839
    • 3,5-Difluoro-2-methoxyphenylboronic acid, pinacol ester, AldrichCPR
    • DTXSID70590382
    • BS-23021
    • MFCD07781207
    • EN300-7370402
    • 2-(3,5-Difluoro-2-methoxy-phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
    • Z2050101834
    • 3,5-DIFLUORO-2-METHOXYPHENYLBORONIC ACID, PINACOL ESTER
    • AKOS015960139
    • 3,5-Difluoro-2-methoxyphenylboronic acid, pinacol ester
    • MDL: MFCD07781207
    • Inchi: 1S/C13H17BF2O3/c1-12(2)13(3,4)19-14(18-12)9-6-8(15)7-10(16)11(9)17-5/h6-7H,1-5H3
    • InChI Key: MVKIBJQRCTUGEK-UHFFFAOYSA-N
    • SMILES: FC1=CC(=CC(B2OC(C)(C)C(C)(C)O2)=C1OC)F

Computed Properties

  • Exact Mass: 270.12400
  • Monoisotopic Mass: 270.1238809g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 322
  • 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: 27.7?2

Experimental Properties

  • PSA: 27.69000
  • LogP: 2.27260

3,5-Difluoro-2-methoxyphenylboronic acid, pinacol ester Security Information

  • Hazardous Material transportation number:UN 2811 6.1 / PGIII
  • Hazard Category Code: 25
  • Safety Instruction: 45
  • Hazardous Material Identification: T

3,5-Difluoro-2-methoxyphenylboronic acid, pinacol ester Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3,5-Difluoro-2-methoxyphenylboronic acid, pinacol ester Pricemore >>

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Additional information on 3,5-Difluoro-2-methoxyphenylboronic acid, pinacol ester

Comprehensive Overview of 3,5-Difluoro-2-methoxyphenylboronic acid, pinacol ester (CAS No. 1073354-50-3)

The 3,5-Difluoro-2-methoxyphenylboronic acid, pinacol ester (CAS No. 1073354-50-3) is a highly specialized boronic ester derivative widely utilized in organic synthesis, pharmaceutical research, and material science. This compound belongs to the class of arylboronic esters, which are pivotal intermediates in Suzuki-Miyaura cross-coupling reactions, a cornerstone methodology for constructing carbon-carbon bonds. The presence of difluoro and methoxy substituents on the phenyl ring enhances its reactivity and selectivity, making it a valuable building block for designing complex molecules.

In recent years, the demand for boronic acid derivatives has surged due to their applications in drug discovery, particularly in the development of kinase inhibitors and anticancer agents. Researchers frequently search for "3,5-Difluoro-2-methoxyphenylboronic acid pinacol ester synthesis" or "CAS 1073354-50-3 suppliers," reflecting its commercial and academic significance. The pinacol ester moiety offers improved stability compared to free boronic acids, simplifying handling and storage, which is a critical consideration for laboratory and industrial workflows.

From an environmental and green chemistry perspective, the compound aligns with the growing trend of sustainable synthesis. Its role in catalyzed cross-coupling reactions reduces the need for harsh conditions, minimizing waste generation. This aspect resonates with the increasing focus on "green organic synthesis" and "eco-friendly chemical processes" in scientific literature and patent filings.

The structural features of 3,5-Difluoro-2-methoxyphenylboronic acid, pinacol ester also make it a candidate for material science applications, such as the development of organic electronic materials and liquid crystals. The fluorine atoms contribute to enhanced thermal stability and electronic properties, which are desirable traits in advanced materials. Queries like "boronic ester in OLEDs" or "fluorinated phenylboronates for optoelectronics" highlight its interdisciplinary relevance.

Analytical characterization of this compound typically involves techniques such as NMR spectroscopy, HPLC purity analysis, and mass spectrometry, ensuring compliance with stringent quality standards. The CAS No. 1073354-50-3 serves as a unique identifier in regulatory documentation and safety data sheets, facilitating global trade and compliance with REACH and other chemical regulations.

In summary, 3,5-Difluoro-2-methoxyphenylboronic acid, pinacol ester exemplifies the intersection of synthetic utility and modern research trends. Its versatility in medicinal chemistry, catalysis, and materials engineering ensures its continued prominence in scientific and industrial arenas. As innovation drives the demand for tailored boronic acid derivatives, this compound remains a key player in advancing cutting-edge technologies.

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