Cas no 1858289-64-1 (4,4,5,5-Tetramethyl-2-[6-(3-phenylphenyl)dibenzothiophen-4-yl]-1,3,2-dioxaborolane)

4,4,5,5-Tetramethyl-2-[6-(3-phenylphenyl)dibenzothiophen-4-yl]-1,3,2-dioxaborolane is a high-purity boronic ester derivative featuring a dibenzothiophene core functionalized with a biphenyl group. This compound is primarily utilized as a key intermediate in Suzuki-Miyaura cross-coupling reactions, enabling the synthesis of complex organic frameworks, particularly in materials science and pharmaceutical applications. Its rigid, planar structure enhances stability and reactivity, while the dioxaborolane moiety ensures efficient transmetalation under mild conditions. The product exhibits excellent solubility in common organic solvents, facilitating its use in solution-phase reactions. Its well-defined molecular architecture makes it suitable for constructing advanced conjugated systems, such as organic semiconductors or luminescent materials, with precise control over electronic properties.
4,4,5,5-Tetramethyl-2-[6-(3-phenylphenyl)dibenzothiophen-4-yl]-1,3,2-dioxaborolane structure
1858289-64-1 structure
Product Name:4,4,5,5-Tetramethyl-2-[6-(3-phenylphenyl)dibenzothiophen-4-yl]-1,3,2-dioxaborolane
CAS No:1858289-64-1
MF:C30H27BO2S
MW:462.410187005997
CID:4709291
PubChem ID:138113234
Update Time:2025-06-07

4,4,5,5-Tetramethyl-2-[6-(3-phenylphenyl)dibenzothiophen-4-yl]-1,3,2-dioxaborolane Chemical and Physical Properties

Names and Identifiers

    • 2-(6-([1,1'-Biphenyl]-3-yl)dibenzo[b,d]thiophen-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
    • 4,4,5,5-Tetramethyl-2-[6-(3-phenylphenyl)dibenzothiophen-4-yl]-1,3,2-dioxaborolane
    • 6-(1,1'-biphenyl-3-yl)dibenzothiophene-4-（4,4,5,5,-tetramethyl-1,3,2-dioxaborolan-2-yl）
    • BS-45941
    • 1858289-64-1
    • Tetramethyl-2-[6-(3-phenylphenyl)dibenzothiophen-4-yl]-1,3,2-dioxaborolane
    • Inchi： 1S/C30H27BO2S/c1-29(2)30(3,4)33-31(32-29)26-18-10-17-25-24-16-9-15-23(27(24)34-28(25)26)22-14-8-13-21(19-22)20-11-6-5-7-12-20/h5-19H,1-4H3
    • InChI Key： YIQGVICVAGYGBO-UHFFFAOYSA-N
    • SMILES： S1C2C(=CC=CC=2C2=CC=CC(B3OC(C)(C)C(C)(C)O3)=C12)C1C=CC=C(C2C=CC=CC=2)C=1

Computed Properties

  • Exact Mass: 462.1824814g/mol
  • Monoisotopic Mass: 462.1824814g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 3
  • Complexity: 703
  • 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: 46.7

4,4,5,5-Tetramethyl-2-[6-(3-phenylphenyl)dibenzothiophen-4-yl]-1,3,2-dioxaborolane Pricemore >>

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