Cas no 1219080-58-6 (Isoquinolin-1-ylboronic acid)

Isoquinolin-1-ylboronic acid structure
Isoquinolin-1-ylboronic acid structure
Product Name:Isoquinolin-1-ylboronic acid
CAS No:1219080-58-6
MF:C9H8BNO2
MW:172.976322174072
MDL:MFCD07780258
CID:1035507
PubChem ID:53398519
Update Time:2025-11-01

Isoquinolin-1-ylboronic acid Chemical and Physical Properties

Names and Identifiers

    • B-1-isoquinolinyl-Boronic acid
    • 1-Isoquinolinylboronic acid
    • 1-Isoquinolylboronic acid
    • Isoquinolin-1-ylboronic acid
    • Boronic acid, B-1-isoquinolinyl-
    • isoquinolinylboronic acid
    • isoquinolin-1-ylboronicacid
    • EN300-6408002
    • AKOS006285666
    • isoquinoline-1-boronic acid
    • RVUIQFODKHOTHQ-UHFFFAOYSA-N
    • DB-069472
    • A823484
    • (isoquinolin-1-yl)boronic acid
    • isoquinoline boronic acid
    • SCHEMBL1190802
    • SY034802
    • 1219080-58-6
    • AMY19748
    • DB-114235
    • Isoquinolin-?1-?ylboronic acid
    • MFCD07780258
    • MDL: MFCD07780258
    • Inchi: 1S/C9H8BNO2/c12-10(13)9-8-4-2-1-3-7(8)5-6-11-9/h1-6,12-13H
    • InChI Key: RVUIQFODKHOTHQ-UHFFFAOYSA-N
    • SMILES: OB(C1C2C=CC=CC=2C=CN=1)O

Computed Properties

  • Exact Mass: 173.06500
  • Monoisotopic Mass: 173.0648087g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 177
  • 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: 53.4?2

Experimental Properties

  • Boiling Point: 419.1±37.0°C at 760 mmHg
  • PSA: 53.35000
  • LogP: -0.08540

Isoquinolin-1-ylboronic acid Security Information

Isoquinolin-1-ylboronic acid Pricemore >>

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Additional information on Isoquinolin-1-ylboronic acid

Comprehensive Overview of Isoquinolin-1-ylboronic acid (CAS No. 1219080-58-6): Properties, Applications, and Industry Trends

Isoquinolin-1-ylboronic acid (CAS No. 1219080-58-6) is a specialized boronic acid derivative that has garnered significant attention in pharmaceutical and material science research. This compound, characterized by its isoquinoline scaffold and boronic acid functional group, serves as a versatile building block in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions. Its unique structure enables the formation of carbon-carbon bonds, making it invaluable for designing complex molecules.

The growing demand for heterocyclic boronic acids like Isoquinolin-1-ylboronic acid is driven by their role in developing targeted therapeutics and advanced materials. Researchers frequently search for "boronic acid applications in drug discovery" or "isoquinoline derivatives in medicinal chemistry," reflecting the compound's relevance in cutting-edge science. Its stability and reactivity under mild conditions align with the industry's shift toward green chemistry and sustainable synthesis.

From a structural perspective, CAS No. 1219080-58-6 features a planar isoquinoline ring conjugated with a boron-containing moiety, which enhances its ability to interact with biological targets. This property is exploited in protease inhibition and enzyme modulation, topics frequently queried in academic databases. The compound's solubility in polar solvents like DMSO and methanol further broadens its utility in high-throughput screening assays.

Recent trends highlight the integration of Isoquinolin-1-ylboronic acid into covalent organic frameworks (COFs) and metal-organic frameworks (MOFs), addressing popular searches such as "boronic acids in material science." Its ability to form dynamic covalent bonds enables the design of self-healing materials and stimuli-responsive systems, aligning with innovations in smart materials and nanotechnology.

Quality control of CAS No. 1219080-58-6 involves rigorous HPLC purity analysis and NMR characterization, ensuring compliance with Good Manufacturing Practices (GMP). Suppliers often emphasize "high-purity boronic acids" to meet the stringent requirements of pharmaceutical intermediates and catalysis research. The compound's shelf life and storage conditions (typically under inert atmospheres) are critical considerations for laboratories.

In conclusion, Isoquinolin-1-ylboronic acid exemplifies the intersection of structural diversity and functional adaptability in modern chemistry. Its applications span from bioconjugation techniques to polymer chemistry, resonating with trending topics like "precision synthesis" and "molecular engineering." As research continues to uncover new utilities, this compound remains a cornerstone in both academic and industrial settings.

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