Cas no 1314299-16-5 (1,3,2-Dioxaborolane, 2-(4-azidophenyl)-4,4,5,5-tetramethyl-)

1,3,2-Dioxaborolane, 2-(4-azidophenyl)-4,4,5,5-tetramethyl-, is a versatile boronic ester derivative featuring an azide-functionalized aromatic ring. Its key advantages include stability under ambient conditions and compatibility with click chemistry reactions, particularly copper-catalyzed azide-alkyne cycloaddition (CuAAC). The tetramethyl-substituted dioxaborolane moiety enhances hydrolytic stability, making it suitable for prolonged storage and handling. The azidophenyl group enables efficient conjugation with alkynes, facilitating applications in bioconjugation, polymer functionalization, and materials science. This compound is particularly useful in synthesizing boron-containing scaffolds for drug discovery and bioorthogonal labeling. Its well-defined reactivity and structural robustness make it a valuable intermediate in organic and medicinal chemistry research.
1,3,2-Dioxaborolane, 2-(4-azidophenyl)-4,4,5,5-tetramethyl- structure
1314299-16-5 structure
Product Name:1,3,2-Dioxaborolane, 2-(4-azidophenyl)-4,4,5,5-tetramethyl-
CAS No:1314299-16-5
MF:C12H16BN3O2
MW:245.085342407227
CID:5561907
Update Time:2025-05-28

1,3,2-Dioxaborolane, 2-(4-azidophenyl)-4,4,5,5-tetramethyl- Chemical and Physical Properties

Names and Identifiers

    • 1,3,2-Dioxaborolane, 2-(4-azidophenyl)-4,4,5,5-tetramethyl-
    • Inchi: 1S/C12H16BN3O2/c1-11(2)12(3,4)18-13(17-11)9-5-7-10(8-6-9)15-16-14/h5-8H,1-4H3
    • InChI Key: PKXMCSFHXLKVMR-UHFFFAOYSA-N
    • SMILES: CC1(C(OB(C2C=CC(N=[N+]=[N-])=CC=2)O1)(C)C)C

Computed Properties

  • Exact Mass: 245.134
  • Monoisotopic Mass: 245.134
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 342
  • 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: 32.8A^2

1,3,2-Dioxaborolane, 2-(4-azidophenyl)-4,4,5,5-tetramethyl- Pricemore >>

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