Cas no 172512-85-5 (2-(2-cyclohexylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane)

2-(2-Cyclohexylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is a cyclic boronic ester featuring a cyclohexyl-substituted ethenyl group. This compound is valued for its stability and utility in Suzuki-Miyaura cross-coupling reactions, enabling the synthesis of complex organic frameworks. The dioxaborolane moiety enhances hydrolytic stability, while the tetramethyl substitution improves solubility in organic solvents. The cyclohexyl group contributes steric bulk, potentially influencing regioselectivity in coupling reactions. This reagent is particularly useful in pharmaceutical and materials science research, where controlled functionalization of aromatic systems is required. Its shelf-stable nature and compatibility with diverse reaction conditions make it a practical choice for synthetic applications.
2-(2-cyclohexylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane structure
172512-85-5 structure
Product Name:2-(2-cyclohexylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS No:172512-85-5
MF:C14H25BO2
MW:236.158104658127
CID:1355281
PubChem ID:12066515
Update Time:2025-06-06

2-(2-cyclohexylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane Chemical and Physical Properties

Names and Identifiers

    • 1,3,2-Dioxaborolane, 2-[(1E)-2-cyclohexylethenyl]-4,4,5,5-tetramethyl-
    • 2-(2-cyclohexylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
    • (E)-2-(2-Cyclohexylvinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
    • 2-(2-CYCLOHEXYLVINYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
    • 172512-85-5
    • 2-((E)-2-CYCLOHEXYL-VINYL)-4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLANE
    • SCHEMBL4107848
    • 2-[(E)-2-CYCLOHEXYLETHENYL]-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
    • 2057416-44-9
    • Z2588124644
    • EN300-802133
    • MFCD16996224
    • EN300-21918971
    • GPNZRYQKISBKHG-ZHACJKMWSA-N
    • AT28842
    • Inchi: 1S/C14H25BO2/c1-13(2)14(3,4)17-15(16-13)11-10-12-8-6-5-7-9-12/h10-12H,5-9H2,1-4H3/b11-10+
    • InChI Key: GPNZRYQKISBKHG-ZHACJKMWSA-N
    • SMILES: O1B(/C=C/C2CCCCC2)OC(C)(C)C1(C)C

Computed Properties

  • Exact Mass: 235.19845
  • Monoisotopic Mass: 236.1947602g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 275
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 18.5?2

Experimental Properties

  • PSA: 18.46

2-(2-cyclohexylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane Pricemore >>

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