Cas no 1015241-96-9 (1-(5-Bromopyrimidin-2-yl)azepane)

1-(5-Bromopyrimidin-2-yl)azepane is a brominated pyrimidine derivative featuring an azepane ring, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The presence of the bromine atom at the 5-position enhances its reactivity for further functionalization via cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings. The azepane moiety contributes to improved solubility and conformational flexibility, which can be advantageous in drug design. This compound is particularly useful in the development of kinase inhibitors and other biologically active molecules. Its well-defined structure and high purity make it suitable for research and industrial applications requiring precise molecular modifications.
1-(5-Bromopyrimidin-2-yl)azepane structure
1015241-96-9 structure
Product Name:1-(5-Bromopyrimidin-2-yl)azepane
CAS No:1015241-96-9
MF:C10H14BrN3
MW:256.14226102829
MDL:MFCD18903003
CID:1037544
PubChem ID:54758850
Update Time:2025-11-02

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

Names and Identifiers

    • 1-(5-Bromopyrimidin-2-yl)azepane
    • 1-(5-bromopyrimidin-2-yl)-azepane
    • MFCD18903003
    • BS-19097
    • DTXSID60716574
    • AKOS013188500
    • SCHEMBL3611548
    • SB57932
    • 1H-Azepine, 1-(5-bromo-2-pyrimidinyl)hexahydro-
    • DB-362900
    • 1015241-96-9
    • CS-0208959
    • MDL: MFCD18903003
    • Inchi: 1S/C10H14BrN3/c11-9-7-12-10(13-8-9)14-5-3-1-2-4-6-14/h7-8H,1-6H2
    • InChI Key: RUWWHHDYNMJYIQ-UHFFFAOYSA-N
    • SMILES: BrC1C=NC(=NC=1)N1CCCCCC1

Computed Properties

  • Exact Mass: 255.03700
  • Monoisotopic Mass: 255.03711g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 161
  • 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: 2.6
  • Topological Polar Surface Area: 29?2

Experimental Properties

  • PSA: 29.02000
  • LogP: 2.68450

1-(5-Bromopyrimidin-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-Bromopyrimidin-2-yl)azepane Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:1015241-96-9)1-(5-Bromopyrimidin-2-yl)azepane
Order Number:A1096322
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 20:17
Price ($):383.0

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

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

1-(5-Bromopyrimidin-2-yl)azepane (CAS 1015241-96-9): A Comprehensive Guide to Its Properties and Applications

1-(5-Bromopyrimidin-2-yl)azepane (CAS 1015241-96-9) is a specialized brominated pyrimidine derivative that has garnered significant attention in pharmaceutical and chemical research. This compound, characterized by its unique azepane-pyrimidine structure, serves as a crucial intermediate in the synthesis of various bioactive molecules. Researchers and industry professionals are increasingly interested in 1-(5-Bromopyrimidin-2-yl)azepane due to its versatile applications in drug discovery and material science.

The molecular structure of 1-(5-Bromopyrimidin-2-yl)azepane combines a pyrimidine ring with an azepane moiety, creating a scaffold that is particularly valuable in medicinal chemistry. The presence of the bromine atom at the 5-position of the pyrimidine ring enhances its reactivity, making it an excellent building block for further chemical modifications. This characteristic has led to its widespread use in the development of kinase inhibitors and other therapeutic agents targeting various diseases.

Recent trends in pharmaceutical research highlight the growing demand for heterocyclic compounds like 1-(5-Bromopyrimidin-2-yl)azepane. Scientists are particularly interested in its potential applications in cancer therapy, where modified pyrimidine derivatives have shown promising results. The compound's ability to serve as a precursor for small molecule drugs has made it a subject of numerous patent applications and research publications.

From a synthetic chemistry perspective, 1-(5-Bromopyrimidin-2-yl)azepane offers several advantages. Its chemical stability under various conditions makes it suitable for diverse reaction protocols, including cross-coupling reactions and nucleophilic substitutions. These properties align well with current industry needs for scalable synthetic routes and cost-effective intermediates in drug manufacturing processes.

The market for pharmaceutical intermediates containing pyrimidine cores has seen steady growth, with 1-(5-Bromopyrimidin-2-yl)azepane being no exception. Industry reports indicate increasing procurement of this compound by contract research organizations and drug development companies, particularly in regions with thriving biotechnology sectors. This demand reflects the broader shift toward targeted therapies and precision medicine approaches in modern healthcare.

Quality control aspects of 1-(5-Bromopyrimidin-2-yl)azepane production have become increasingly important. Manufacturers now employ advanced analytical techniques such as HPLC and NMR spectroscopy to ensure high purity levels, meeting the stringent requirements of pharmaceutical applications. These quality assurance measures address the growing emphasis on reproducible research and standardized chemical materials in scientific studies.

Environmental considerations in the synthesis and handling of brominated compounds like 1-(5-Bromopyrimidin-2-yl)azepane have led to innovations in green chemistry approaches. Recent developments focus on catalytic methods and solvent-free reactions to minimize waste generation, aligning with the pharmaceutical industry's sustainability goals. These advancements demonstrate how traditional synthetic chemistry is evolving to meet contemporary environmental standards.

Looking forward, the applications of 1-(5-Bromopyrimidin-2-yl)azepane are expected to expand into new areas of research. Its structural features make it a candidate for exploration in materials science, particularly in the development of organic electronic materials and functional polymers. The compound's versatility ensures its continued relevance across multiple scientific disciplines, from medicinal chemistry to advanced materials development.

For researchers working with 1-(5-Bromopyrimidin-2-yl)azepane, proper storage and handling protocols are essential. While not classified as hazardous under standard conditions, maintaining the compound in anhydrous environments and controlled temperatures helps preserve its chemical integrity. These best practices reflect the broader emphasis on laboratory safety and material stability in chemical research settings.

The intellectual property landscape surrounding pyrimidine derivatives including 1-(5-Bromopyrimidin-2-yl)azepane continues to evolve. Recent patent filings indicate growing interest in novel synthetic methods and therapeutic applications, highlighting the compound's commercial potential. This IP activity underscores the value of specialized heterocycles in contemporary drug discovery pipelines and pharmaceutical innovation strategies.

In conclusion, 1-(5-Bromopyrimidin-2-yl)azepane (CAS 1015241-96-9) represents an important building block in modern chemical research. Its unique structural features, combined with versatile reactivity, make it valuable for numerous applications in pharmaceutical development and beyond. As research into heterocyclic compounds advances, this compound will likely play an increasingly significant role in scientific discoveries and technological innovations across multiple fields.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:1015241-96-9)1-(5-Bromopyrimidin-2-yl)azepane
A1096322
Purity:99%
Quantity:5g
Price ($):383.0
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