Cas no 1075719-78-6 (3,4-Dibromophenylboronic acid, pinacol ester)

3,4-Dibromophenylboronic acid pinacol ester is a stable boronic ester derivative used as a versatile intermediate in Suzuki-Miyaura cross-coupling reactions. The pinacol ester group enhances stability, reducing decomposition risks during handling and storage compared to its free boronic acid counterpart. This compound is particularly valuable in synthesizing complex biaryl structures, where the dibromo substitution pattern allows for selective further functionalization. Its crystalline solid form ensures ease of purification and precise weighing. The electron-withdrawing bromo substituents also moderate reactivity, enabling controlled coupling conditions. Suitable for use in pharmaceutical and materials science research, it offers reliable performance in palladium-catalyzed transformations.
3,4-Dibromophenylboronic acid, pinacol ester structure
1075719-78-6 structure
Product Name:3,4-Dibromophenylboronic acid, pinacol ester
CAS No:1075719-78-6
MF:C12H15BBr2O2
MW:361.865302324295
MDL:MFCD12026084
CID:827901
PubChem ID:46739434
Update Time:2025-05-27

3,4-Dibromophenylboronic acid, pinacol ester Chemical and Physical Properties

Names and Identifiers

    • 2-(3,4-Dibromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
    • 3,4-Dibromophenylboronic acid, pinacol ester
    • J-001911
    • MFCD12026084
    • 1075719-78-6
    • BS-25733
    • AKOS022172770
    • CS-0175549
    • 3,4-Dibromophenylboronic acid pinacol ester
    • DTXSID40675039
    • AT16159
    • MDL: MFCD12026084
    • Inchi: 1S/C12H15BBr2O2/c1-11(2)12(3,4)17-13(16-11)8-5-6-9(14)10(15)7-8/h5-7H,1-4H3
    • InChI Key: SVTLSECRLPPTTC-UHFFFAOYSA-N
    • SMILES: BrC1=C(C=CC(B2OC(C)(C)C(C)(C)O2)=C1)Br

Computed Properties

  • Exact Mass: 359.95300
  • Monoisotopic Mass: 359.95319g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 280
  • 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: 18.5?2

Experimental Properties

  • PSA: 18.46000
  • LogP: 3.51080

3,4-Dibromophenylboronic 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%

3,4-Dibromophenylboronic acid, pinacol ester Pricemore >>

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3,4-Dibromophenylboronic acid, pinacol ester Production Method

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