Cas no 1175900-46-5 (1-(5-Bromopyridin-2-yl)azepane)

1-(5-Bromopyridin-2-yl)azepane is a brominated heterocyclic compound featuring a pyridine core substituted with an azepane ring at the 2-position and a bromine atom at the 5-position. This structure imparts versatility in synthetic applications, particularly as an intermediate in pharmaceutical and agrochemical research. The bromine substituent enhances reactivity for cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, facilitating further functionalization. The azepane ring contributes conformational flexibility, which can be advantageous in drug design for modulating bioavailability and binding affinity. The compound’s well-defined reactivity and stability under standard conditions make it a valuable building block for developing novel bioactive molecules.
1-(5-Bromopyridin-2-yl)azepane structure
1175900-46-5 structure
Product Name:1-(5-Bromopyridin-2-yl)azepane
CAS No:1175900-46-5
MF:C11H15BrN2
MW:255.154201745987
MDL:MFCD11923073
CID:1079511
PubChem ID:39357230
Update Time:2025-05-26

1-(5-Bromopyridin-2-yl)azepane Chemical and Physical Properties

Names and Identifiers

    • 1-(5-Bromo-2-pyridinyl)azepane
    • AKOS010633509
    • 1-(5-Bromopyridin-2-yl)azepane
    • BS-26032
    • CS-0208025
    • DTXSID80653775
    • AXB90046
    • DB-249905
    • MFCD11923073
    • 1175900-46-5
    • MDL： MFCD11923073
    • Inchi： 1S/C11H15BrN2/c12-10-5-6-11(13-9-10)14-7-3-1-2-4-8-14/h5-6,9H,1-4,7-8H2
    • InChI Key： MTYJNKMYXIMVFL-UHFFFAOYSA-N
    • SMILES： BrC1=CN=C(C=C1)N1CCCCCC1

Computed Properties

  • Exact Mass: 254.04200
  • Monoisotopic Mass: 254.04186g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 167
  • 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: 3.2
  • Topological Polar Surface Area: 16.1?2

Experimental Properties

  • PSA: 16.13000
  • LogP: 3.28950

1-(5-Bromopyridin-2-yl)azepane Security Information

  • HazardClass：IRRITANT

1-(5-Bromopyridin-2-yl)azepane Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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1-(5-Bromopyridin-2-yl)azepane Production Method

1-(5-Bromopyridin-2-yl)azepane Related Literature

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Additional information on 1-(5-Bromopyridin-2-yl)azepane

Comprehensive Overview of 1-(5-Bromopyridin-2-yl)azepane (CAS No. 1175900-46-5): Properties, Applications, and Industry Insights

1-(5-Bromopyridin-2-yl)azepane (CAS No. 1175900-46-5) is a specialized heterocyclic compound that has garnered significant attention in pharmaceutical and agrochemical research. This brominated pyridine derivative features a unique azepane ring structure, making it a valuable intermediate for synthesizing complex molecules. With the rise of AI-driven drug discovery and green chemistry trends, researchers are increasingly exploring its potential in high-throughput screening and sustainable synthesis routes.

The compound’s molecular formula, C11H15BrN2, highlights its nitrogen-rich scaffold, which is pivotal for binding to biological targets. Recent studies emphasize its role in designing kinase inhibitors and GPCR modulators, addressing prevalent search queries like "pyridine-based drug candidates 2024" and "azepane applications in medicinal chemistry". Its 5-bromopyridine moiety also facilitates cross-coupling reactions, aligning with the growing demand for Pd-catalyzed transformations in API manufacturing.

From an industrial perspective, 1-(5-Bromopyridin-2-yl)azepane is often discussed in forums on scalable synthetic routes and cost-effective bromination techniques. Analytical methods such as HPLC purity testing and LC-MS characterization are critical for quality control, reflecting common user searches like "how to analyze bromopyridine derivatives". The compound’s stability under ambient storage conditions further enhances its utility in long-term R&D projects.

Emerging trends in precision agriculture have also spotlighted this compound’s derivatives as potential crop protection agents. Its structural flexibility allows for modifications targeting pest-specific enzymes, resonating with queries such as "next-gen agrochemical intermediates". Additionally, its compatibility with flow chemistry systems addresses the industry’s shift toward continuous manufacturing.

In summary, 1-(5-Bromopyridin-2-yl)azepane (CAS No. 1175900-46-5) exemplifies the intersection of innovative synthetic chemistry and applied life sciences. Its multifaceted applications—from drug discovery to agrochemical development—make it a compound of enduring relevance in 2024’s scientific landscape.

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