Cas no 880158-07-6 (4-(3-bromophenyl)butanenitrile)

4-(3-Bromophenyl)butanenitrile is a brominated aromatic nitrile compound with the molecular formula C??H??BrN. This intermediate is characterized by its phenyl ring substituted with a bromine atom at the meta position and a butanenitrile side chain, offering versatility in organic synthesis. The bromine moiety facilitates further functionalization via cross-coupling reactions, while the nitrile group serves as a precursor for carboxylic acids, amines, or heterocycles. Its stable structure and reactive sites make it valuable in pharmaceutical and agrochemical research, particularly for constructing complex molecules. The compound is typically handled under inert conditions due to its sensitivity to moisture and strong bases. Suitable for Grignard reactions, nucleophilic substitutions, and catalytic transformations.
4-(3-bromophenyl)butanenitrile structure
880158-07-6 structure
Product Name:4-(3-bromophenyl)butanenitrile
CAS No:880158-07-6
MF:C10H10BrN
MW:224.097101688385
CID:2857709
PubChem ID:20453360
Update Time:2025-11-02

4-(3-bromophenyl)butanenitrile Chemical and Physical Properties

Names and Identifiers

    • 4-(3-bromophenyl)butanenitrile
    • BNNBPTYVXASSFV-UHFFFAOYSA-N
    • 880158-07-6
    • SCHEMBL2573264
    • EN300-1894102
    • Inchi: 1S/C10H10BrN/c11-10-6-3-5-9(8-10)4-1-2-7-12/h3,5-6,8H,1-2,4H2
    • InChI Key: BNNBPTYVXASSFV-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC(=C1)CCCC#N

Computed Properties

  • Exact Mass: 222.99966Da
  • Monoisotopic Mass: 222.99966Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 170
  • 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
  • XLogP3: 2.9
  • Topological Polar Surface Area: 23.8?2

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4-(3-bromophenyl)butanenitrile Related Literature

Additional information on 4-(3-bromophenyl)butanenitrile

4-(3-Bromophenyl)butanenitrile (CAS No. 880158-07-6): A Versatile Intermediate in Organic Synthesis

4-(3-Bromophenyl)butanenitrile (CAS No. 880158-07-6) is a specialized organic compound that has garnered significant attention in the field of synthetic chemistry. This nitrile derivative, featuring a bromophenyl moiety, serves as a crucial building block in the synthesis of various pharmaceuticals, agrochemicals, and advanced materials. Its unique structure, combining a phenyl ring with a butanenitrile chain, makes it a valuable intermediate for cross-coupling reactions and other transformations.

The growing demand for 4-(3-bromophenyl)butanenitrile is driven by its role in the development of novel drug candidates and functional materials. Researchers and manufacturers frequently search for high-purity 4-(3-bromophenyl)butanenitrile and CAS 880158-07-6 suppliers, highlighting its importance in modern chemistry. This compound is particularly relevant in the context of sustainable synthesis and green chemistry, as it enables efficient routes to complex molecules with reduced environmental impact.

One of the key applications of 4-(3-bromophenyl)butanenitrile is in the synthesis of biologically active compounds. Its bromine substituent allows for facile functionalization via palladium-catalyzed reactions, such as Suzuki-Miyaura and Heck couplings. These transformations are essential for creating drug-like molecules and pharmaceutical intermediates, addressing current challenges in medicinal chemistry. The compound's versatility also extends to materials science, where it contributes to the development of organic electronic materials and liquid crystals.

From a market perspective, the global demand for 4-(3-bromophenyl)butanenitrile CAS 880158-07-6 is steadily increasing, particularly in regions with strong pharmaceutical and chemical industries. Suppliers and researchers often inquire about bulk quantities of 4-(3-bromophenyl)butanenitrile and custom synthesis services, reflecting its commercial significance. The compound's stability and handling characteristics make it suitable for both laboratory-scale and industrial applications.

Recent advancements in synthetic methodologies have further enhanced the utility of 4-(3-bromophenyl)butanenitrile. Innovations in catalytic processes and flow chemistry have improved the efficiency of reactions involving this intermediate. These developments align with the broader trends of process optimization and cost-effective manufacturing in the chemical industry. As a result, 880158-07-6 continues to be a focus of research and development efforts worldwide.

Quality control is paramount when working with 4-(3-bromophenyl)butanenitrile. Reputable suppliers provide comprehensive analytical data, including HPLC purity, NMR spectra, and mass spectrometry results, ensuring the compound meets the stringent requirements of advanced applications. Researchers frequently search for technical specifications of 4-(3-bromophenyl)butanenitrile and safety data sheets, underscoring the need for reliable information sources.

The future outlook for 4-(3-bromophenyl)butanenitrile (CAS 880158-07-6) remains positive, with potential applications emerging in areas such as bioconjugation chemistry and polymer science. Its compatibility with diverse reaction conditions and functional groups positions it as a valuable tool for synthetic chemists. As the demand for specialty chemicals grows, this compound is expected to play an increasingly important role in both academic and industrial settings.

In conclusion, 4-(3-bromophenyl)butanenitrile represents a critical intermediate in modern organic synthesis. Its combination of reactivity, stability, and versatility makes it indispensable for researchers and manufacturers alike. With ongoing innovations in chemical synthesis and expanding applications across multiple industries, CAS 880158-07-6 will continue to be a compound of significant interest and utility in the years to come.

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