Cas no 1079402-44-0 (2-(2-Dyclopropoxy-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane)

2-(2-Cyclopropoxy-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is a boronic ester derivative commonly employed as an intermediate in Suzuki-Miyaura cross-coupling reactions. Its cyclopropoxy and fluorine substituents enhance its reactivity and selectivity in forming carbon-carbon bonds, particularly in pharmaceutical and agrochemical synthesis. The tetramethyl dioxaborolane moiety ensures improved stability and handling compared to free boronic acids, reducing decomposition risks during storage and reaction. This compound is particularly useful in constructing complex aromatic systems due to its compatibility with diverse functional groups. Its high purity and consistent performance make it a reliable choice for precision organic synthesis.
2-(2-Dyclopropoxy-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane structure
1079402-44-0 structure
Product Name:2-(2-Dyclopropoxy-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS No:1079402-44-0
MF:C15H20BFO3
MW:278.126908302307
CID:2624368
PubChem ID:57582352
Update Time:2025-10-28

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

Names and Identifiers

    • 2-(2-Dyclopropoxy-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
    • 2-(2-Cyclopropoxy-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
    • MB16919
    • DB-098443
    • 1079402-44-0
    • SCHEMBL264588
    • starbld0017991
    • Inchi: 1S/C15H20BFO3/c1-14(2)15(3,4)20-16(19-14)12-9-10(17)5-8-13(12)18-11-6-7-11/h5,8-9,11H,6-7H2,1-4H3
    • InChI Key: QDUDUXYJYNVHFW-UHFFFAOYSA-N
    • SMILES: FC1=CC=C(C(B2OC(C)(C)C(C)(C)O2)=C1)OC1CC1

Computed Properties

  • Exact Mass: 278.1489528Da
  • Monoisotopic Mass: 278.1489528Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 354
  • 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: 27.7?2

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

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B424703-10mg
2-(2-Dyclopropoxy-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1079402-44-0
10mg
$ 70.00 2022-06-07
TRC
B424703-50mg
2-(2-Dyclopropoxy-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1079402-44-0
50mg
$ 230.00 2022-06-07
TRC
B424703-100mg
2-(2-Dyclopropoxy-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1079402-44-0
100mg
$ 340.00 2022-06-07

Additional information on 2-(2-Dyclopropoxy-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Comprehensive Overview of 2-(2-Dyclopropoxy-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS No. 1079402-44-0)

The compound 2-(2-Dyclopropoxy-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS No. 1079402-44-0) is a highly specialized boron-containing intermediate widely utilized in pharmaceutical research and organic synthesis. Its unique structure, featuring a dioxaborolane ring and a fluorophenyl group, makes it a valuable building block for Suzuki-Miyaura cross-coupling reactions, a topic frequently searched by chemists and researchers in the field of drug discovery and material science.

Recent trends in AI-driven drug design and high-throughput screening have increased interest in boron-based compounds like 1079402-44-0. Searches for "boronic acid derivatives in medicinal chemistry" or "fluorophenyl boronates applications" highlight its relevance. This compound’s cyclopropyl ether moiety further enhances its utility in modulating bioavailability and metabolic stability, key concerns in modern pharmaceutical development.

From a synthetic perspective, 2-(2-Dyclopropoxy-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is often employed to introduce aryl boron groups into complex molecules. Its stability under ambient conditions and compatibility with palladium catalysts align with industry demands for green chemistry and atom-efficient reactions. These attributes are frequently queried in forums discussing "sustainable synthetic methods."

Analytical characterization of this compound typically involves NMR spectroscopy (particularly 11B NMR for boron detection) and mass spectrometry. Researchers exploring "NMR analysis of boronates" or "QC protocols for boronate esters" will find this compound’s spectral data insightful. Its crystalline form and solubility profile in common organic solvents (e.g., THF, DCM) are also documented for practical applications.

In the context of personalized medicine, derivatives of 1079402-44-0 have shown promise in kinase inhibitor development, a hot topic in oncology research. The 5-fluorophenyl segment contributes to target selectivity, while the dioxaborolane group facilitates proteolysis-targeting chimera (PROTAC) design, another trending search term in bioconjugation chemistry.

Regulatory and safety data for this compound emphasize its handling under standard laboratory protocols. While not classified as hazardous, its use in GMP-compliant synthesis requires strict quality control measures—a concern reflected in searches for "boronate purity standards." Storage recommendations typically suggest inert atmosphere conditions to preserve its hydrolytic stability.

The commercial availability of 2-(2-Dyclopropoxy-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane through specialty chemical suppliers caters to the growing demand for tailored boron reagents. Market analyses indicate rising interest in "custom boronic ester synthesis" and "scalable boronate production," positioning this CAS No. 1079402-44-0 as a strategically important material for contract research organizations (CROs).

Emerging applications in PET radiopharmaceuticals (where the fluorine-18 isotope could replace the stable fluorine atom) and bioorthogonal chemistry further expand its potential. These cutting-edge uses correlate with search queries about "boron in imaging agents" and "click chemistry compatible boronates," demonstrating the compound’s interdisciplinary significance.

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