Cas no 851199-04-7 (4,4,5,5-Tetramethyl-2-[4-(2-methylbutan-2-yl)phenyl]-1,3,2-dioxaborolane)

4,4,5,5-Tetramethyl-2-[4-(2-methylbutan-2-yl)phenyl]-1,3,2-dioxaborolane is a boronic ester derivative commonly employed as an intermediate in Suzuki-Miyaura cross-coupling reactions. Its sterically hindered structure enhances stability, reducing susceptibility to protodeboronation and hydrolysis, which is advantageous for air- and moisture-sensitive applications. The tert-butyl-substituted phenyl group contributes to improved solubility in organic solvents, facilitating handling in synthetic workflows. This compound is particularly useful in pharmaceutical and materials science research, where controlled borylation is required for constructing complex aromatic systems. Its consistent reactivity profile makes it a reliable choice for palladium-catalyzed transformations. Proper storage under inert conditions is recommended to maintain purity and performance.
4,4,5,5-Tetramethyl-2-[4-(2-methylbutan-2-yl)phenyl]-1,3,2-dioxaborolane structure
851199-04-7 structure
Product Name:4,4,5,5-Tetramethyl-2-[4-(2-methylbutan-2-yl)phenyl]-1,3,2-dioxaborolane
CAS No:851199-04-7
MF:C17H27BO2
MW:274.206085443497
CID:5464944
Update Time:2025-06-07

4,4,5,5-Tetramethyl-2-[4-(2-methylbutan-2-yl)phenyl]-1,3,2-dioxaborolane Chemical and Physical Properties

Names and Identifiers

    • Z1336745259
    • 4,4,5,5-tetramethyl-2-[4-(2-methylbutan-2-yl)phenyl]-1,3,2-dioxaborolane
    • 1,3,2-Dioxaborolane, 2-[4-(1,1-dimethylpropyl)phenyl]-4,4,5,5-tetramethyl-
    • 4,4,5,5-Tetramethyl-2-[4-(2-methylbutan-2-yl)phenyl]-1,3,2-dioxaborolane
    • Inchi: 1S/C17H27BO2/c1-8-15(2,3)13-9-11-14(12-10-13)18-19-16(4,5)17(6,7)20-18/h9-12H,8H2,1-7H3
    • InChI Key: HEMIIZDXMGUJFE-UHFFFAOYSA-N
    • SMILES: O1B(C2C=CC(=CC=2)C(C)(C)CC)OC(C)(C)C1(C)C

Computed Properties

  • Exact Mass: 274.2104103 g/mol
  • Monoisotopic Mass: 274.2104103 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 325
  • 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
  • Molecular Weight: 274.2
  • Topological Polar Surface Area: 18.5

4,4,5,5-Tetramethyl-2-[4-(2-methylbutan-2-yl)phenyl]-1,3,2-dioxaborolane Pricemore >>

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1PlusChem
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